N-(cyanomethyl)-2-(cyclohexylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propanamide

Systemtic Name: N-(cyanomethyl)-2-(cyclohexylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propanamide Openeye Name: N-(cyanomethyl)-2-(cyclohexylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propanamide CAS Name: N-(cyanomethyl)-2-(cyclohexylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide IUPAC Name: N-(cyanomethyl)-2-(cyclohexylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide Traditional Name: N-(cyanomethyl)-2-(cyclohexylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propionamide Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NCC#N)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H27N3O2/c22-11-12-23-20(25)19(14-16-6-2-1-3-7-16)21(26)24-13-10-17-8-4-5-9-18(17)15-24/h4-5,8-9,16,19H,1-3,6-7,10,12-15H2,(H,23,25)