(E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-piperidin-1-ylcarbonylpiperidin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-piperidin-1-ylcarbonylpiperidin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[oxo-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]methyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]acrylonitrile Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=O)N3CCC(CC3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(\C#N)/C(=O)N3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C28H34N4O3/c1-20-17-23(21(2)32(20)25-7-9-26(35-3)10-8-25)18-24(19-29)28(34)31-15-11-22(12-16-31)27(33)30-13-5-4-6-14-30/h7-10,17-18,22H,4-6,11-16H2,1-3H3/b24-18+