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

Systemtic Name: (2-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]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-[4-nitro-3-(1-pyrrolidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-nitro-3-pyrrolidino-phenyl)piperazino]-(o-tolyl)methanone Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C22H26N4O3/c1-17-6-2-3-7-19(17)22(27)25-14-12-23(13-15-25)18-8-9-20(26(28)29)21(16-18)24-10-4-5-11-24/h2-3,6-9,16H,4-5,10-15H2,1H3