3-phenyl-1-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one

Systemtic Name: 3-phenyl-1-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 3-phenyl-1-[5-[(phenylmethyl)amino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C23H21N5O MolecularWeight: 383.44574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O/c29-21(14-13-18-8-3-1-4-9-18)28-23(25-16-19-10-5-2-6-11-19)26-22(27-28)20-12-7-15-24-17-20/h1-12,15,17H,13-14,16H2,(H,25,26,27)