2-cyano-3-[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-2-cyano-3-[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide CAS Name: 2-cyano-3-[1-(4-dimethylaminophenyl)-2,5-dimethyl-3-pyrrolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-2-cyano-3-[1-(4-dimethylaminophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide Traditional Name: N-benzyl-2-cyano-3-[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]acrylamide Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)N(C)C)C)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)N(C)C)C)C=C(C#N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H26N4O/c1-18-14-21(19(2)29(18)24-12-10-23(11-13-24)28(3)4)15-22(16-26)25(30)27-17-20-8-6-5-7-9-20/h5-15H,17H2,1-4H3,(H,27,30)