N-(8-chloranyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-3-cyano-4-methoxy-benzamide

Systemtic Name: N-(8-chloranyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-3-cyano-4-methoxy-benzamide Openeye Name: N-(8-chloro-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-3-cyano-4-methoxy-benzamide CAS Name: N-(8-chloro-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-3-cyano-4-methoxybenzamide IUPAC Name: N-(8-chloro-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-3-cyano-4-methoxybenzamide Traditional Name: N-(8-chloro-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-3-cyano-4-methoxy-benzamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC2=C1C=CC(=C2Cl)NC(=O)C3=CC(=C(C=C3)OC)C#N)C)C

Isomeric SMILES

CC1(CN(CC2=C1C=CC(=C2Cl)NC(=O)C3=CC(=C(C=C3)OC)C#N)C)C

InChI

InChI=1S/C21H22ClN3O2/c1-21(2)12-25(3)11-15-16(21)6-7-17(19(15)22)24-20(26)13-5-8-18(27-4)14(9-13)10-23/h5-9H,11-12H2,1-4H3,(H,24,26)