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

Systemtic Name: 1-[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]isonipecotamide Formula: C23H25ClN2O2 MolecularWeight: 396.9098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H25ClN2O2/c1-17-7-8-18(15-21(17)24)9-10-22(27)26-13-11-20(12-14-26)23(28)25-16-19-5-3-2-4-6-19/h2-10,15,20H,11-14,16H2,1H3,(H,25,28)/b10-9+