4-benzo[b][1,4]benzoxazepin-6-yl-N-[3-[(3-methoxyphenyl)amino]-3-oxidanylidene-propyl]piperazine-1-carboxamide

Systemtic Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-[3-[(3-methoxyphenyl)amino]-3-oxidanylidene-propyl]piperazine-1-carboxamide Openeye Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-[3-(3-methoxyanilino)-3-oxo-propyl]piperazine-1-carboxamide CAS Name: 4-(6-benzo[b][1,4]benzoxazepinyl)-N-[3-(3-methoxyanilino)-3-oxopropyl]-1-piperazinecarboxamide IUPAC Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-[3-(3-methoxyanilino)-3-oxopropyl]piperazine-1-carboxamide Traditional Name: 4-benzo[b][1,4]benzoxazepin-6-yl-N-[3-keto-3-(m-anisidino)propyl]piperazine-1-carboxamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCNC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCNC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C28H29N5O4/c1-36-21-8-6-7-20(19-21)30-26(34)13-14-29-28(35)33-17-15-32(16-18-33)27-22-9-2-4-11-24(22)37-25-12-5-3-10-23(25)31-27/h2-12,19H,13-18H2,1H3,(H,29,35)(H,30,34)