(4-methylphenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-[4-nitro-3-(1-pyrrolidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-methylphenyl)-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-nitro-3-pyrrolidino-phenyl)piperazino]-(p-tolyl)methanone Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C22H26N4O3/c1-17-4-6-18(7-5-17)22(27)25-14-12-23(13-15-25)19-8-9-20(26(28)29)21(16-19)24-10-2-3-11-24/h4-9,16H,2-3,10-15H2,1H3