2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(2-cyanoethylamino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-(2-cyanoethylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-(2-cyanoethylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-(2-cyanoethylamino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC(=O)NCCC#N)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)CC(=O)NCCC#N)C(=O)N

InChI

InChI=1S/C15H18N4O2/c16-6-3-7-18-14(20)10-19-9-12-5-2-1-4-11(12)8-13(19)15(17)21/h1-2,4-5,13H,3,7-10H2,(H2,17,21)(H,18,20)