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

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: (3-nitro-4-pyrrolidin-1-yl-phenyl)-[4-(o-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(2-methylbenzyl)piperazino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3/c1-18-6-2-3-7-20(18)17-24-12-14-26(15-13-24)23(28)19-8-9-21(22(16-19)27(29)30)25-10-4-5-11-25/h2-3,6-9,16H,4-5,10-15,17H2,1H3