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NCQ

Summary
Name:3,6-Bis[3-(azepan-1-yl)propionamido]acridine
Synonyms:N,N'-acridine-3,6-diylbis(3-azepan-1-ylpropanamide)
Formula:C31 H41 N5 O2
Formal charge:0
Formula weight:515.69 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N,N'-acridine-3,6-diylbis(3-azepan-1-ylpropanamide)
OpenEye OEToolkits1.5.03-(azepan-1-yl)-N-[6-[3-(azepan-1-yl)propanoylamino]acridin-3-yl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCCCCC4)CCN5CCCCCC5
SMILES_CANONICALCACTVS3.341O=C(CCN1CCCCCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCCCCC5)cc4nc3c2
SMILESCACTVS3.341O=C(CCN1CCCCCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCCCCC5)cc4nc3c2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4)NC(=O)CCN5CCCCCC5
SMILESOpenEye OEToolkits1.5.0c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4)NC(=O)CCN5CCCCCC5
InChIInChI1.03InChI=1S/C31H41N5O2/c37-30(13-19-35-15-5-1-2-6-16-35)32-26-11-9-24-21-25-10-12-27(23-29(25)34-28(24)22-26)33-31(38)14-20-36-17-7-3-4-8-18-36/h9-12,21-23H,1-8,13-20H2,(H,32,37)(H,33,38)
InChIKeyInChI1.03MSWYQCALXGGGBX-UHFFFAOYSA-N

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건을2024-07-10부터공개중

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