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

Systemtic Name: 2-(4-methoxyphenyl)-1-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 2-(4-methoxyphenyl)-1-[5-[(phenylmethyl)amino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2/c1-30-20-11-9-17(10-12-20)14-21(29)28-23(25-15-18-6-3-2-4-7-18)26-22(27-28)19-8-5-13-24-16-19/h2-13,16H,14-15H2,1H3,(H,25,26,27)