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

Systemtic Name: [5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3-methylphenyl)methanone Openeye Name: [5-[(4-methoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(m-tolyl)methanone CAS Name: [5-[(4-methoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(3-methylphenyl)methanone IUPAC Name: [5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3-methylphenyl)methanone Traditional Name: m-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(=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)OC

InChI

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