8-methoxy-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 8-methoxy-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Openeye Name: 8-methoxy-4-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 8-methoxy-4-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 8-methoxy-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Traditional Name: 8-methoxy-4-[4-[4-(m-tolyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCN3C=COC4=C(C3=O)C=CC(=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCN3C=COC4=C(C3=O)C=CC(=C4)OC

InChI

InChI=1S/C25H31N3O3/c1-20-6-5-7-21(18-20)27-14-12-26(13-15-27)10-3-4-11-28-16-17-31-24-19-22(30-2)8-9-23(24)25(28)29/h5-9,16-19H,3-4,10-15H2,1-2H3