(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(4-pyrrolidinobenzyl)acrylamide Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C#N)C(=O)NCC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)NCC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C22H23N5O/c1-16-18(12-21(14-24)26(16)2)11-19(13-23)22(28)25-15-17-5-7-20(8-6-17)27-9-3-4-10-27/h5-8,11-12H,3-4,9-10,15H2,1-2H3,(H,25,28)/b19-11+