N-[2-[2-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-propyl-amino]methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide

Systemtic Name: N-[2-[2-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-propyl-amino]methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Openeye Name: N-[2-[2-[[3-(1,3-dioxoisoindolin-2-yl)propyl-propyl-amino]methyl]-1-piperidyl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide CAS Name: N-[2-[2-[[3-(1,3-dioxo-2-isoindolyl)propyl-propylamino]methyl]-1-piperidinyl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide IUPAC Name: N-[2-[2-[[3-(1,3-dioxoisoindol-2-yl)propyl-propylamino]methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Traditional Name: 6-keto-N-[2-[2-[[3-phthalimidopropyl(propyl)amino]methyl]piperidino]ethyl]-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Formula: C35H41N7O4 MolecularWeight: 623.74454

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCN1C(=O)C2=CC=CC=C2C1=O)CC3CCCCN3CCNC(=O)N4C5=CC=CC=C5C(=O)NC6=C4N=CC=C6

Isomeric SMILES

CCCN(CCCN1C(=O)C2=CC=CC=C2C1=O)CC3CCCCN3CCNC(=O)N4C5=CC=CC=C5C(=O)NC6=C4N=CC=C6

InChI

InChI=1S/C35H41N7O4/c1-2-19-39(20-10-22-41-33(44)26-12-3-4-13-27(26)34(41)45)24-25-11-7-8-21-40(25)23-18-37-35(46)42-30-16-6-5-14-28(30)32(43)38-29-15-9-17-36-31(29)42/h3-6,9,12-17,25H,2,7-8,10-11,18-24H2,1H3,(H,37,46)(H,38,43)