3-(3-nitrophenyl)-1-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]prop-2-en-1-one

Systemtic Name: 3-(3-nitrophenyl)-1-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]prop-2-en-1-one Openeye Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: 3-(3-nitrophenyl)-1-[5-[(phenylmethyl)amino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-propen-1-one IUPAC Name: 1-[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C23H18N6O3 MolecularWeight: 426.42742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C23H18N6O3/c30-21(12-11-17-8-4-10-20(14-17)29(31)32)28-23(25-15-18-6-2-1-3-7-18)26-22(27-28)19-9-5-13-24-16-19/h1-14,16H,15H2,(H,25,26,27)