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

Systemtic Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]prop-2-enamide Openeye Name: (E)-N-(1-benzylpyrrolidin-3-yl)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]-2-propenamide IUPAC Name: (E)-N-(1-benzylpyrrolidin-3-yl)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-(1-benzylpyrrolidin-3-yl)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)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)NC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)NC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H23N5O/c1-16-18(11-21(13-24)26(16)2)10-19(12-23)22(28)25-20-8-9-27(15-20)14-17-6-4-3-5-7-17/h3-7,10-11,20H,8-9,14-15H2,1-2H3,(H,25,28)/b19-10+