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

Systemtic Name: 3-[7-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[7-[2-[cyclohexyl(isopropyl)amino]ethoxy]-1-oxo-2-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[7-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-1-oxo-2-isoquinolinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[7-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-1-oxoisoquinolin-2-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[7-[2-[cyclohexyl(isopropyl)amino]ethoxy]-1-keto-2-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide Formula: C31H39N3O3 MolecularWeight: 501.65966

Click to see the large picture

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(C5CCCCC5)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN(C5CCCCC5)C(C)C

InChI

InChI=1S/C31H39N3O3/c1-21(2)33(26-7-5-4-6-8-26)17-18-37-27-14-11-23-15-16-34(31(36)28(23)20-27)29-19-24(10-9-22(29)3)30(35)32-25-12-13-25/h9-11,14-16,19-21,25-26H,4-8,12-13,17-18H2,1-3H3,(H,32,35)