CWC

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Summary

Name:4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide
Formula:C19 H22 N4 O
Formal charge:0
Molecular weight:322.404 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide
OpenEye OEToolkits1.7.64-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc3cc(c1cccc2c1ccn2)cnc3)CCCN(C)C
InChIInChI1.03InChI=1S/C19H22N4O/c1-23(2)10-4-7-19(24)22-15-11-14(12-20-13-15)16-5-3-6-18-17(16)8-9-21-18/h3,5-6,8-9,11-13,21H,4,7,10H2,1-2H3,(H,22,24)
InChIKeyInChI1.03QVBOWRMZONBBIK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCCC(=O)Nc1cncc(c1)c2cccc3[nH]ccc23
SMILESCACTVS3.385CN(C)CCCC(=O)Nc1cncc(c1)c2cccc3[nH]ccc23
SMILES_CANONICALOpenEye OEToolkits1.7.6CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3
SMILESOpenEye OEToolkits1.7.6CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3