4-[3-chloranyl-4-[(3-methylbutylamino)methyl]phenyl]-3-methyl-benzamide hydrochloride

Systemtic Name: 4-[3-chloranyl-4-[(3-methylbutylamino)methyl]phenyl]-3-methyl-benzamide hydrochloride Openeye Name: 4-[3-chloro-4-[(isopentylamino)methyl]phenyl]-3-methyl-benzamide hydrochloride CAS Name: 4-[3-chloro-4-[(3-methylbutylamino)methyl]phenyl]-3-methylbenzamide hydrochloride IUPAC Name: 4-[3-chloro-4-[(3-methylbutylamino)methyl]phenyl]-3-methylbenzamide hydrochloride Traditional Name: 4-[3-chloro-4-[(isoamylamino)methyl]phenyl]-3-methyl-benzamide hydrochloride Formula: C20H26Cl2N2O MolecularWeight: 381.33924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)C2=CC(=C(C=C2)CNCCC(C)C)Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)C2=CC(=C(C=C2)CNCCC(C)C)Cl.Cl

InChI

InChI=1S/C20H25ClN2O.ClH/c1-13(2)8-9-23-12-17-5-4-15(11-19(17)21)18-7-6-16(20(22)24)10-14(18)3;/h4-7,10-11,13,23H,8-9,12H2,1-3H3,(H2,22,24);1H