3-azanyl-N-[5-(4-methylpentoxy)-2-pyridin-3-yl-phenyl]butanamide dihydrochloride

Systemtic Name: 3-azanyl-N-[5-(4-methylpentoxy)-2-pyridin-3-yl-phenyl]butanamide dihydrochloride Openeye Name: 3-amino-N-[5-isohexyloxy-2-(3-pyridyl)phenyl]butanamide dihydrochloride CAS Name: 3-amino-N-[5-(4-methylpentoxy)-2-(3-pyridinyl)phenyl]butanamide dihydrochloride IUPAC Name: 3-amino-N-[5-(4-methylpentoxy)-2-pyridin-3-ylphenyl]butanamide dihydrochloride Traditional Name: 3-amino-N-[5-isohexyloxy-2-(3-pyridyl)phenyl]butyramide dihydrochloride Formula: C21H31Cl2N3O2 MolecularWeight: 428.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=CC(=C(C=C1)C2=CN=CC=C2)NC(=O)CC(C)N.Cl.Cl

Isomeric SMILES

CC(C)CCCOC1=CC(=C(C=C1)C2=CN=CC=C2)NC(=O)CC(C)N.Cl.Cl

InChI

InChI=1S/C21H29N3O2.2ClH/c1-15(2)6-5-11-26-18-8-9-19(17-7-4-10-23-14-17)20(13-18)24-21(25)12-16(3)22;;/h4,7-10,13-16H,5-6,11-12,22H2,1-3H3,(H,24,25);2*1H