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

Systemtic Name: 3-[7-[2-[cyclohexyl(ethyl)amino]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[7-[2-[cyclohexyl(ethyl)amino]ethoxy]-1-oxo-2-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[7-[2-[cyclohexyl(ethyl)amino]ethoxy]-1-oxo-2-isoquinolinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[7-[2-[cyclohexyl(ethyl)amino]ethoxy]-1-oxoisoquinolin-2-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[7-[2-[cyclohexyl(ethyl)amino]ethoxy]-1-keto-2-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide Formula: C30H37N3O3 MolecularWeight: 487.63308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC1=CC2=C(C=C1)C=CN(C2=O)C3=C(C=CC(=C3)C(=O)NC4CC4)C)C5CCCCC5

Isomeric SMILES

CCN(CCOC1=CC2=C(C=C1)C=CN(C2=O)C3=C(C=CC(=C3)C(=O)NC4CC4)C)C5CCCCC5

InChI

InChI=1S/C30H37N3O3/c1-3-32(25-7-5-4-6-8-25)17-18-36-26-14-11-22-15-16-33(30(35)27(22)20-26)28-19-23(10-9-21(28)2)29(34)31-24-12-13-24/h9-11,14-16,19-20,24-25H,3-8,12-13,17-18H2,1-2H3,(H,31,34)