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

Systemtic Name: 3-methyl-4-[3-methyl-4-[(3-methylbutylamino)methyl]phenyl]benzamide Openeye Name: 4-[4-[(isopentylamino)methyl]-3-methyl-phenyl]-3-methyl-benzamide CAS Name: 3-methyl-4-[3-methyl-4-[(3-methylbutylamino)methyl]phenyl]benzamide IUPAC Name: 3-methyl-4-[3-methyl-4-[(3-methylbutylamino)methyl]phenyl]benzamide Traditional Name: 4-[4-[(isoamylamino)methyl]-3-methyl-phenyl]-3-methyl-benzamide Formula: C21H28N2O MolecularWeight: 324.45982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-14(2)9-10-23-13-19-6-5-17(11-15(19)3)20-8-7-18(21(22)24)12-16(20)4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H2,22,24)