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

Systemtic Name: (3S)-1-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]nipecotamide Formula: C16H19BrN2O2 MolecularWeight: 351.23826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCCC(C2)C(=O)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCC[C@@H](C2)C(=O)N)Br

InChI

InChI=1S/C16H19BrN2O2/c1-11-4-5-12(14(17)9-11)6-7-15(20)19-8-2-3-13(10-19)16(18)21/h4-7,9,13H,2-3,8,10H2,1H3,(H2,18,21)/b7-6+/t13-/m0/s1