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

Systemtic Name: [4-(2-methylquinolin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-(2-methyl-4-quinolyl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-(2-methyl-4-quinolinyl)-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-(2-methylquinolin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(2-methyl-4-quinolyl)piperazino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O3/c1-18-16-23(20-6-2-3-7-21(20)26-18)28-12-14-29(15-13-28)25(31)19-8-9-22(24(17-19)30(32)33)27-10-4-5-11-27/h2-3,6-9,16-17H,4-5,10-15H2,1H3