(3S)-1-[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]-N-phenyl-nipecotamide Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H23ClN2O2/c1-16-9-10-17(14-20(16)23)11-12-21(26)25-13-5-6-18(15-25)22(27)24-19-7-3-2-4-8-19/h2-4,7-12,14,18H,5-6,13,15H2,1H3,(H,24,27)/b12-11+/t18-/m0/s1