3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-oxo-2-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-oxo-2-isoquinolinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-oxoisoquinolin-2-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-keto-2-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN(C)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN(C)C(C)(C)C

InChI

InChI=1S/C27H33N3O3/c1-18-6-7-20(25(31)28-21-9-10-21)16-24(18)30-13-12-19-8-11-22(17-23(19)26(30)32)33-15-14-29(5)27(2,3)4/h6-8,11-13,16-17,21H,9-10,14-15H2,1-5H3,(H,28,31)