1-[(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]piperidine-4-carboxamide Openeye Name: 1-[(E)-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]acryloyl]isonipecotamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=CC(=O)N3CCC(CC3)C(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/C(=O)N3CCC(CC3)C(=O)N)C

InChI

InChI=1S/C22H27N3O2/c1-15-4-7-20(8-5-15)25-16(2)14-19(17(25)3)6-9-21(26)24-12-10-18(11-13-24)22(23)27/h4-9,14,18H,10-13H2,1-3H3,(H2,23,27)/b9-6+