[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [5-[[4-(dimethylamino)benzyl]amino]-3-phenyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Formula: C24H22N6O3 MolecularWeight: 442.46988

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H22N6O3/c1-28(2)20-13-11-17(12-14-20)16-25-24-26-22(18-7-4-3-5-8-18)27-29(24)23(31)19-9-6-10-21(15-19)30(32)33/h3-15H,16H2,1-2H3,(H,25,26,27)