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Summary Geometry Related PDB entries

22E

Summary

Name:	5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate
Formula:	C24 H18 N2 O3
Formal charge:	0
Formula weight:	382.411 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(11aS)-5,11-dimethyl-1-oxo-2,11a-dihydro-1H-pyrido[4,3-b]carbazol-9-yl benzoate
OpenEye OEToolkits	1.7.6	(5,11-dimethyl-1-oxidanylidene-2,11a-dihydropyrido[4,3-b]carbazol-9-yl) benzoate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C24H18N2O3/c1-13-17-10-11-25-23(27)21(17)14(2)20-18-12-16(8-9-19(18)26-22(13)20)29-24(28)15-6-4-3-5-7-15/h3-12,21H,1-2H3,(H,25,27)/t21-/m0/s1
InChIKey	InChI	1.03	WTDCOWKJENHJKG-NRFANRHFSA-N
SMILES	ACDLabs	12.01	O=C(Oc4cc3c(N=C2C(=C1C=CNC(=O)C1C(=C23)C)C)cc4)c5ccccc5
SMILES_CANONICAL	CACTVS	3.370	CC1=C2c3cc(OC(=O)c4ccccc4)ccc3N=C2C(=C5C=CNC(=O)[C@@H]15)C
SMILES	CACTVS	3.370	CC1=C2c3cc(OC(=O)c4ccccc4)ccc3N=C2C(=C5C=CNC(=O)[CH]15)C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC1=C2c3cc(ccc3N=C2C(=C4C1C(=O)NC=C4)C)OC(=O)c5ccccc5
SMILES	OpenEye OEToolkits	1.7.6	CC1=C2c3cc(ccc3N=C2C(=C4C1C(=O)NC=C4)C)OC(=O)c5ccccc5

221051

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