1-[1-[(E)-3-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)prop-2-enoyl]-4-phenyl-piperidin-4-yl]butan-1-one

Systemtic Name: 1-[1-[(E)-3-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)prop-2-enoyl]-4-phenyl-piperidin-4-yl]butan-1-one Openeye Name: 1-[1-[(E)-3-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)prop-2-enoyl]-4-phenyl-4-piperidyl]butan-1-one CAS Name: 1-[1-[(E)-3-(1-tert-butyl-3,5-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]-4-phenyl-4-piperidinyl]-1-butanone IUPAC Name: 1-[1-[(E)-3-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)prop-2-enoyl]-4-phenylpiperidin-4-yl]butan-1-one Traditional Name: 1-[1-[(E)-3-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)acryloyl]-4-phenyl-4-piperidyl]butan-1-one Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(CCN(CC1)C(=O)C=CC2=C(N(N=C2C)C(C)(C)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)C1(CCN(CC1)C(=O)/C=C/C2=C(N(N=C2C)C(C)(C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H37N3O2/c1-7-11-24(31)27(22-12-9-8-10-13-22)16-18-29(19-17-27)25(32)15-14-23-20(2)28-30(21(23)3)26(4,5)6/h8-10,12-15H,7,11,16-19H2,1-6H3/b15-14+