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

Systemtic Name: (4-nitrophenyl)-[3-phenyl-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]methanone Openeye Name: [5-(benzylamino)-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone CAS Name: (4-nitrophenyl)-[3-phenyl-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]methanone IUPAC Name: [5-(benzylamino)-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: [5-(benzylamino)-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O3/c28-21(18-11-13-19(14-12-18)27(29)30)26-22(23-15-16-7-3-1-4-8-16)24-20(25-26)17-9-5-2-6-10-17/h1-14H,15H2,(H,23,24,25)