N-(3-chlorophenyl)-4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-(9-methoxy-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carboxamide Formula: C26H25ClN4O3 MolecularWeight: 476.9547

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

InChI

InChI=1S/C26H25ClN4O3/c1-17-16-30(12-13-31(17)26(32)28-19-7-5-6-18(27)14-19)25-21-11-10-20(33-2)15-24(21)34-23-9-4-3-8-22(23)29-25/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,28,32)