1-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]-N-phenyl-nipecotamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C25H30N4O2/c1-4-12-29-18(2)14-21(19(29)3)15-22(16-26)25(31)28-13-8-9-20(17-28)24(30)27-23-10-6-5-7-11-23/h5-7,10-11,14-15,20H,4,8-9,12-13,17H2,1-3H3,(H,27,30)/b22-15+