7-chloranyl-6-[4-cyclopropyl-4-[(phenylmethyl)amino]cyclohexyl]oxy-2H-isoquinolin-1-one

Systemtic Name: 7-chloranyl-6-[4-cyclopropyl-4-[(phenylmethyl)amino]cyclohexyl]oxy-2H-isoquinolin-1-one Openeye Name: 6-[4-(benzylamino)-4-cyclopropyl-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 7-chloro-6-[4-cyclopropyl-4-[(phenylmethyl)amino]cyclohexyl]oxy-2H-isoquinolin-1-one IUPAC Name: 6-[4-(benzylamino)-4-cyclopropylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(benzylamino)-4-cyclopropyl-cyclohexoxy]-7-chloro-isocarbostyril Formula: C25H27ClN2O2 MolecularWeight: 422.94708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2(CCC(CC2)OC3=C(C=C4C(=C3)C=CNC4=O)Cl)NCC5=CC=CC=C5

Isomeric SMILES

C1CC1C2(CCC(CC2)OC3=C(C=C4C(=C3)C=CNC4=O)Cl)NCC5=CC=CC=C5

InChI

InChI=1S/C25H27ClN2O2/c26-22-15-21-18(10-13-27-24(21)29)14-23(22)30-20-8-11-25(12-9-20,19-6-7-19)28-16-17-4-2-1-3-5-17/h1-5,10,13-15,19-20,28H,6-9,11-12,16H2,(H,27,29)