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

Systemtic Name: 3-(4-methoxyphenyl)-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-(4-methoxyphenyl)prop-2-en-1-one CAS Name: 3-(4-methoxyphenyl)-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-(4-methoxyphenyl)prop-2-en-1-one Traditional Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Formula: C24H21N5O2 MolecularWeight: 411.45584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O2/c1-31-21-12-9-18(10-13-21)11-14-22(30)29-24(26-16-19-6-3-2-4-7-19)27-23(28-29)20-8-5-15-25-17-20/h2-15,17H,16H2,1H3,(H,26,27,28)