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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3/c1-17-6-5-7-21(18(17)2)25-12-14-26(15-13-25)23(28)20-16-19(27(29)30)8-9-22(20)24-10-3-4-11-24/h5-9,16H,3-4,10-15H2,1-2H3