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

Systemtic Name: 3-methyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-[(4-isopropylphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-[(4-isopropylbenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C22H27N5O MolecularWeight: 377.48268

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O/c1-15(2)12-20(28)27-22(25-21(26-27)19-6-5-11-23-14-19)24-13-17-7-9-18(10-8-17)16(3)4/h5-11,14-16H,12-13H2,1-4H3,(H,24,25,26)