N-(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-oxidanyl-propanamide

Systemtic Name: N-(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-oxidanyl-propanamide Openeye Name: N-(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-hydroxy-propanamide CAS Name: N-(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-hydroxypropanamide IUPAC Name: N-(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-hydroxypropanamide Traditional Name: N-(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-hydroxy-propionamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C=C(C(=C2C1)NC(=O)CCO)C#N)C3=CC=CC=C3

Isomeric SMILES

CCN1CCC2=C(C=C(C(=C2C1)NC(=O)CCO)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-2-24-10-8-17-18(15-6-4-3-5-7-15)12-16(13-22)21(19(17)14-24)23-20(26)9-11-25/h3-7,12,25H,2,8-11,14H2,1H3,(H,23,26)