1-[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-[3-(4-chloro-2-methyl-benzoyl)-1-piperidyl]-3-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-[3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidinyl]-3-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-[3-(4-chloro-2-methyl-benzoyl)piperidino]-3-(1,2,4-triazol-1-yl)propan-1-one Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)CCN3C=NC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)CCN3C=NC=N3

InChI

InChI=1S/C18H21ClN4O2/c1-13-9-15(19)4-5-16(13)18(25)14-3-2-7-22(10-14)17(24)6-8-23-12-20-11-21-23/h4-5,9,11-12,14H,2-3,6-8,10H2,1H3