1-[(E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[(E)-3-[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]prop-2-enoyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[(E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-1-oxoprop-2-enyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[(E)-3-[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]acryloyl]-N-phenyl-isonipecotamide Formula: C27H29ClN4O2 MolecularWeight: 476.99776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H29ClN4O2/c1-19-8-10-21(11-9-19)18-32-26(28)24(20(2)30-32)12-13-25(33)31-16-14-22(15-17-31)27(34)29-23-6-4-3-5-7-23/h3-13,22H,14-18H2,1-2H3,(H,29,34)/b13-12+