3-methoxy-4,7-dimethyl-9-oxidanyl-6-oxidanylidene-10-[(2-pyrrol-1-ylethylamino)methyl]benzo[b][1,4]benzodiazepine-1-carboxylic acid

Systemtic Name: 3-methoxy-4,7-dimethyl-9-oxidanyl-6-oxidanylidene-10-[(2-pyrrol-1-ylethylamino)methyl]benzo[b][1,4]benzodiazepine-1-carboxylic acid Openeye Name: 9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-10-[(2-pyrrol-1-ylethylamino)methyl]benzo[b][1,4]benzodiazepine-1-carboxylic acid CAS Name: 9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-10-[[2-(1-pyrrolyl)ethylamino]methyl]-1-benzo[b][1,4]benzodiazepinecarboxylic acid IUPAC Name: 9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-10-[(2-pyrrol-1-ylethylamino)methyl]benzo[b][1,4]benzodiazepine-1-carboxylic acid Traditional Name: 9-hydroxy-6-keto-3-methoxy-4,7-dimethyl-10-[(2-pyrrol-1-ylethylamino)methyl]benzo[b][1,4]benzodiazepine-1-carboxylic acid Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)N=C3C(=C(C=C(C3=N2)C(=O)O)OC)C)CNCCN4C=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)N=C3C(=C(C=C(C3=N2)C(=O)O)OC)C)CNCCN4C=CC=C4)O

InChI

InChI=1S/C24H24N4O5/c1-13-10-17(29)16(12-25-6-9-28-7-4-5-8-28)21-19(13)23(30)27-20-14(2)18(33-3)11-15(24(31)32)22(20)26-21/h4-5,7-8,10-11,25,29H,6,9,12H2,1-3H3,(H,31,32)