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

Systemtic Name: [5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Openeye Name: [5-[(4-methoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(o-tolyl)methanone CAS Name: [5-[(4-methoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone IUPAC Name: [5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Traditional Name: o-tolyl-[5-(p-anisylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]methanone Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H21N5O2/c1-16-6-3-4-8-20(16)22(29)28-23(25-14-17-9-11-19(30-2)12-10-17)26-21(27-28)18-7-5-13-24-15-18/h3-13,15H,14H2,1-2H3,(H,25,26,27)