3-[3-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one

Systemtic Name: 3-[3-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Openeye Name: 3-[3-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 3-[3-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one IUPAC Name: 3-[3-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Traditional Name: 3-[3-[4-(4-chlorobenzoyl)piperazino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C26H30ClN3O4 MolecularWeight: 483.9871

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C26H30ClN3O4/c1-33-23-16-20-8-11-29(25(31)18-21(20)17-24(23)34-2)10-3-9-28-12-14-30(15-13-28)26(32)19-4-6-22(27)7-5-19/h4-8,11,16-17H,3,9-10,12-15,18H2,1-2H3