methyl 1-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]-4-phenyl-isonipecotic acid methyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H29N3O3/c1-20-24(21(2)30(28-20)23-12-8-5-9-13-23)14-15-25(31)29-18-16-27(17-19-29,26(32)33-3)22-10-6-4-7-11-22/h4-15H,16-19H2,1-3H3/b15-14+