(4-methylphenyl)-[4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-methylphenyl)-[4-(4-nitro-2-pyrrol-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazino]-(p-tolyl)methanone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])N4C=CC=C4

InChI

InChI=1S/C22H22N4O3/c1-17-4-6-18(7-5-17)22(27)25-14-12-24(13-15-25)20-9-8-19(26(28)29)16-21(20)23-10-2-3-11-23/h2-11,16H,12-15H2,1H3