1-[3-(4-tert-butylphenyl)carbonylpiperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-[3-(4-tert-butylphenyl)carbonylpiperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-[3-(4-tert-butylbenzoyl)-1-piperidyl]-3-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-[3-[(4-tert-butylphenyl)-oxomethyl]-1-piperidinyl]-3-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-[3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-[3-(4-tert-butylbenzoyl)piperidino]-3-(1,2,4-triazol-1-yl)propan-1-one Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c1-21(2,3)18-8-6-16(7-9-18)20(27)17-5-4-11-24(13-17)19(26)10-12-25-15-22-14-23-25/h6-9,14-15,17H,4-5,10-13H2,1-3H3