N-(3-chlorophenyl)-4-cyclopropyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine; ethanoic acid

Systemtic Name: N-(3-chlorophenyl)-4-cyclopropyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine; ethanoic acid Openeye Name: acetic acid; N-(3-chlorophenyl)-4-cyclopropyl-5-[(isopropylamino)methyl]pyridin-2-amine CAS Name: acetic acid; N-(3-chlorophenyl)-4-cyclopropyl-5-[(propan-2-ylamino)methyl]-2-pyridinamine IUPAC Name: acetic acid; N-(3-chlorophenyl)-4-cyclopropyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine Traditional Name: acetic acid; [6-(3-chloroanilino)-4-cyclopropyl-3-pyridyl]methyl-isopropyl-amine Formula: C20H26ClN3O2 MolecularWeight: 375.89234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CN=C(C=C1C2CC2)NC3=CC(=CC=C3)Cl.CC(=O)O

Isomeric SMILES

CC(C)NCC1=CN=C(C=C1C2CC2)NC3=CC(=CC=C3)Cl.CC(=O)O

InChI

InChI=1S/C18H22ClN3.C2H4O2/c1-12(2)20-10-14-11-21-18(9-17(14)13-6-7-13)22-16-5-3-4-15(19)8-16;1-2(3)4/h3-5,8-9,11-13,20H,6-7,10H2,1-2H3,(H,21,22);1H3,(H,3,4)