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

Systemtic Name: methyl 3-[3-[2-cyano-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4-methyl-benzoate Openeye Name: methyl 3-[3-[2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4-methyl-benzoate CAS Name: 3-[3-[2-cyano-3-oxo-3-(4-phenyl-1-piperazinyl)prop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-[2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2,5-dimethylpyrrol-1-yl]-4-methylbenzoate Traditional Name: 3-[3-[2-cyano-3-keto-3-(4-phenylpiperazino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4-methyl-benzoic acid methyl ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O3/c1-20-10-11-23(29(35)36-4)18-27(20)33-21(2)16-24(22(33)3)17-25(19-30)28(34)32-14-12-31(13-15-32)26-8-6-5-7-9-26/h5-11,16-18H,12-15H2,1-4H3