8-[(E)-5-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]pent-1-enyl]-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one

Systemtic Name: 8-[(E)-5-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]pent-1-enyl]-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one Openeye Name: 8-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pent-1-enyl]-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one CAS Name: 8-[(E)-5-[4-(2,3-dichlorophenyl)-1-piperazinyl]pent-1-enyl]-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one IUPAC Name: 8-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pent-1-enyl]-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one Traditional Name: 8-[(E)-5-[4-(2,3-dichlorophenyl)piperazino]pent-1-enyl]-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one Formula: C27H33Cl2N3O MolecularWeight: 486.47642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)NC2=C1C=CC(=C2)C=CCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl)C

Isomeric SMILES

CC1(CCC(=O)NC2=C1C=CC(=C2)/C=C/CCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl)C

InChI

InChI=1S/C27H33Cl2N3O/c1-27(2)13-12-25(33)30-23-19-20(10-11-21(23)27)7-4-3-5-14-31-15-17-32(18-16-31)24-9-6-8-22(28)26(24)29/h4,6-11,19H,3,5,12-18H2,1-2H3,(H,30,33)/b7-4+