(E)-2-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide Openeye Name: (E)-N-[(4S)-chroman-4-yl]-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-[(4S)-chroman-4-yl]-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2CCOC3=CC=CC=C23)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)N[C@H]2CCOC3=CC=CC=C23)C

InChI

InChI=1S/C22H25N3O2/c1-4-10-25-15(2)12-17(16(25)3)13-18(14-23)22(26)24-20-9-11-27-21-8-6-5-7-19(20)21/h5-8,12-13,20H,4,9-11H2,1-3H3,(H,24,26)/b18-13+/t20-/m0/s1