(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(4-nitrophenyl)piperazino]prop-2-en-1-one Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3/c1-16-15-18(17(2)25(16)20-6-7-20)3-10-22(27)24-13-11-23(12-14-24)19-4-8-21(9-5-19)26(28)29/h3-5,8-10,15,20H,6-7,11-14H2,1-2H3/b10-3+