3-(4-chlorophenyl)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(4-chlorophenyl)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(4-chlorophenyl)-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]prop-2-en-1-one CAS Name: 3-(4-chlorophenyl)-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(4-chlorophenyl)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(4-chlorophenyl)-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]prop-2-en-1-one Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H27ClN4O3/c25-20-7-4-19(5-8-20)6-11-24(30)28-16-14-26(15-17-28)21-9-10-22(29(31)32)23(18-21)27-12-2-1-3-13-27/h4-11,18H,1-3,12-17H2