[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-(m-tolylmethyl)piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazinyl]-[5-nitro-2-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(3-methylbenzyl)piperazino]-(5-nitro-2-pyrrolidino-phenyl)methanone Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H28N4O3/c1-18-5-4-6-19(15-18)17-24-11-13-26(14-12-24)23(28)21-16-20(27(29)30)7-8-22(21)25-9-2-3-10-25/h4-8,15-16H,2-3,9-14,17H2,1H3