N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2/c1-20-19-23(28-15-5-6-16-28)10-11-24(20)27-26(31)22-13-17-29(18-14-22)25(30)12-9-21-7-3-2-4-8-21/h2-4,7-12,19,22H,5-6,13-18H2,1H3,(H,27,31)/b12-9+