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2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3H-isoindol-1-one dihydrochloride

2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3H-isoindol-1-one dihydrochloride

Systemtic Name:2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3H-isoindol-1-one dihydrochloride
Openeye Name:2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]isoindolin-1-one dihydrochloride
CAS Name:2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3H-isoindol-1-one dihydrochloride
IUPAC Name:2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3H-isoindol-1-one dihydrochloride
Traditional Name:2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]isoindolin-1-one dihydrochloride
Formula: C21H25Cl3N2O
MolecularWeight: 427.795
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CC3=CC=CC=C3C2=O)(CN)C4=CC(=CC=C4)Cl.Cl.Cl


Isomeric SMILES

C1CC(CCC1N2CC3=CC=CC=C3C2=O)(CN)C4=CC(=CC=C4)Cl.Cl.Cl


InChI

InChI=1S/C21H23ClN2O.2ClH/c22-17-6-3-5-16(12-17)21(14-23)10-8-18(9-11-21)24-13-15-4-1-2-7-19(15)20(24)25;;/h1-7,12,18H,8-11,13-14,23H2;2*1H


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