3-methyl-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-[(4-benzyloxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-[(4-benzoxybenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O2/c1-19(2)15-24(32)31-26(29-25(30-31)22-9-6-14-27-17-22)28-16-20-10-12-23(13-11-20)33-18-21-7-4-3-5-8-21/h3-14,17,19H,15-16,18H2,1-2H3,(H,28,29,30)