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

Systemtic Name: 1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one Openeye Name: 3-(4-isopropylphenyl)-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]prop-2-en-1-one CAS Name: 1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-3-(4-propan-2-ylphenyl)-2-propen-1-one IUPAC Name: 1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one Traditional Name: 1-[4-(4-nitro-3-piperidino-phenyl)piperazino]-3-p-cumenyl-prop-2-en-1-one Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C27H34N4O3/c1-21(2)23-9-6-22(7-10-23)8-13-27(32)30-18-16-28(17-19-30)24-11-12-25(31(33)34)26(20-24)29-14-4-3-5-15-29/h6-13,20-21H,3-5,14-19H2,1-2H3