methyl 3-[3-[(E)-2-cyano-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 3-[3-[(E)-2-cyano-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 3-[3-[(E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-[(E)-2-cyano-3-oxo-3-(4-phenyl-1-piperazinyl)prop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[(E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[3-[(E)-2-cyano-3-keto-3-(4-phenylpiperazino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)/C=C(\C#N)/C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3/c1-20-16-23(21(2)32(20)26-11-7-8-22(18-26)28(34)35-3)17-24(19-29)27(33)31-14-12-30(13-15-31)25-9-5-4-6-10-25/h4-11,16-18H,12-15H2,1-3H3/b24-17+