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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

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