(E)-1-[3-(4-tert-butylphenyl)carbonylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[3-(4-tert-butylphenyl)carbonylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[3-(4-tert-butylbenzoyl)-1-piperidyl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[3-[(4-tert-butylphenyl)-oxomethyl]-1-piperidinyl]-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[3-(4-tert-butylbenzoyl)piperidino]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)C=CC3=CN(N=C3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)/C=C/C3=CN(N=C3)C

InChI

InChI=1S/C23H29N3O2/c1-23(2,3)20-10-8-18(9-11-20)22(28)19-6-5-13-26(16-19)21(27)12-7-17-14-24-25(4)15-17/h7-12,14-15,19H,5-6,13,16H2,1-4H3/b12-7+