3-methyl-1-[1-[[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]carbonyl]piperidin-3-yl]butan-1-one

Systemtic Name: 3-methyl-1-[1-[[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]carbonyl]piperidin-3-yl]butan-1-one Openeye Name: 3-methyl-1-[1-[1-(3-phenylpropyl)triazole-4-carbonyl]-3-piperidyl]butan-1-one CAS Name: 3-methyl-1-[1-[oxo-[1-(3-phenylpropyl)-4-triazolyl]methyl]-3-piperidinyl]-1-butanone IUPAC Name: 3-methyl-1-[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-3-yl]butan-1-one Traditional Name: 3-methyl-1-[1-[1-(3-phenylpropyl)triazole-4-carbonyl]-3-piperidyl]butan-1-one Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1CCCN(C1)C(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)C1CCCN(C1)C(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2/c1-17(2)14-21(27)19-11-7-12-25(15-19)22(28)20-16-26(24-23-20)13-6-10-18-8-4-3-5-9-18/h3-5,8-9,16-17,19H,6-7,10-15H2,1-2H3