4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-N-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-N-(phenylmethyl)piperazine-1-carboxamide Openeye Name: N-benzyl-4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxamide CAS Name: 4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-N-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-benzyl-4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxamide Traditional Name: N-benzyl-4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3/c1-19-8-10-23-25(16-19)34-24-11-9-21(33-2)17-22(24)26(29-23)30-12-14-31(15-13-30)27(32)28-18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,32)