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

Systemtic Name: 3-cyano-N-(8-ethyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-4-propan-2-yl-benzamide Openeye Name: 3-cyano-N-(8-ethyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-4-isopropyl-benzamide CAS Name: 3-cyano-N-(8-ethyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-4-propan-2-ylbenzamide IUPAC Name: 3-cyano-N-(8-ethyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-4-propan-2-ylbenzamide Traditional Name: 3-cyano-N-(8-ethyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-4-isopropyl-benzamide Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1CN(CC2(C)C)C)NC(=O)C3=CC(=C(C=C3)C(C)C)C#N

Isomeric SMILES

CCC1=C(C=CC2=C1CN(CC2(C)C)C)NC(=O)C3=CC(=C(C=C3)C(C)C)C#N

InChI

InChI=1S/C25H31N3O/c1-7-19-21-14-28(6)15-25(4,5)22(21)10-11-23(19)27-24(29)17-8-9-20(16(2)3)18(12-17)13-26/h8-12,16H,7,14-15H2,1-6H3,(H,27,29)