3-[1-(2,3-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: 3-[1-(2,3-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: 3-[1-(2,3-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: 3-[1-(2,3-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: 3-[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-[1-(2,3-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C28H30N4O MolecularWeight: 438.564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C28H30N4O/c1-20-9-8-12-27(22(20)3)32-21(2)17-24(23(32)4)18-25(19-29)28(33)31-15-13-30(14-16-31)26-10-6-5-7-11-26/h5-12,17-18H,13-16H2,1-4H3