3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-1-[4-(2-phenylquinolin-4-yl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-1-[4-(2-phenylquinolin-4-yl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-imidazol-1-yl-2-nitro-anilino)-1-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-(1-imidazolyl)-2-nitroanilino]-1-[4-[oxo-(2-phenyl-4-quinolinyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-imidazol-1-yl-2-nitroanilino)-1-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-imidazol-1-yl-2-nitro-anilino)-1-[4-(2-phenylquinoline-4-carbonyl)piperazino]propan-1-one Formula: C32H29N7O4 MolecularWeight: 575.61716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCNC2=C(C=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C(=O)CCNC2=C(C=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C32H29N7O4/c40-31(12-13-34-28-11-10-24(20-30(28)39(42)43)38-15-14-33-22-38)36-16-18-37(19-17-36)32(41)26-21-29(23-6-2-1-3-7-23)35-27-9-5-4-8-25(26)27/h1-11,14-15,20-22,34H,12-13,16-19H2