N-(3-chlorophenyl)-5-[(cyclopentylmethylamino)methyl]-4-cyclopropyl-pyridin-2-amine dihydrochloride

Systemtic Name: N-(3-chlorophenyl)-5-[(cyclopentylmethylamino)methyl]-4-cyclopropyl-pyridin-2-amine dihydrochloride Openeye Name: N-(3-chlorophenyl)-5-[(cyclopentylmethylamino)methyl]-4-cyclopropyl-pyridin-2-amine dihydrochloride CAS Name: N-(3-chlorophenyl)-5-[(cyclopentylmethylamino)methyl]-4-cyclopropyl-2-pyridinamine dihydrochloride IUPAC Name: N-(3-chlorophenyl)-5-[(cyclopentylmethylamino)methyl]-4-cyclopropylpyridin-2-amine dihydrochloride Traditional Name: [6-(3-chloroanilino)-4-cyclopropyl-3-pyridyl]methyl-(cyclopentylmethyl)amine dihydrochloride Formula: C21H28Cl3N3 MolecularWeight: 428.82612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CNCC2=CN=C(C=C2C3CC3)NC4=CC(=CC=C4)Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)CNCC2=CN=C(C=C2C3CC3)NC4=CC(=CC=C4)Cl.Cl.Cl

InChI

InChI=1S/C21H26ClN3.2ClH/c22-18-6-3-7-19(10-18)25-21-11-20(16-8-9-16)17(14-24-21)13-23-12-15-4-1-2-5-15;;/h3,6-7,10-11,14-16,23H,1-2,4-5,8-9,12-13H2,(H,24,25);2*1H