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

Systemtic Name: 2-phenoxy-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]-2-phenoxy-propan-1-one CAS Name: 2-phenoxy-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]-2-phenoxypropan-1-one Traditional Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CC=C3)OC4=CC=CC=C4

InChI

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