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

Systemtic Name: (4-methoxyphenyl)-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone Openeye Name: [5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone CAS Name: (4-methoxyphenyl)-[5-[(phenylmethyl)amino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2/c1-29-19-11-9-17(10-12-19)21(28)27-22(24-14-16-6-3-2-4-7-16)25-20(26-27)18-8-5-13-23-15-18/h2-13,15H,14H2,1H3,(H,24,25,26)