6-[4-(1-azanylpropyl)-4-ethyl-cyclohexyl]oxy-7-methyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(1-azanylpropyl)-4-ethyl-cyclohexyl]oxy-7-methyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-ethyl-cyclohexoxy]-7-methyl-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-ethylcyclohexyl]oxy-7-methyl-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-ethylcyclohexyl]oxy-7-methyl-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-ethyl-cyclohexoxy]-7-methyl-isocarbostyril Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)C)CC)N

Isomeric SMILES

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)C)CC)N

InChI

InChI=1S/C21H30N2O2/c1-4-19(22)21(5-2)9-6-16(7-10-21)25-18-13-15-8-11-23-20(24)17(15)12-14(18)3/h8,11-13,16,19H,4-7,9-10,22H2,1-3H3,(H,23,24)