4-[[2-[(4-bromanyl-2-methoxy-6-methyl-phenyl)amino]-3-methyl-benzimidazol-4-yl]-propan-2-yl-amino]-1-piperidin-1-yl-butan-1-one

Systemtic Name: 4-[[2-[(4-bromanyl-2-methoxy-6-methyl-phenyl)amino]-3-methyl-benzimidazol-4-yl]-propan-2-yl-amino]-1-piperidin-1-yl-butan-1-one Openeye Name: 4-[[2-(4-bromo-2-methoxy-6-methyl-anilino)-3-methyl-benzimidazol-4-yl]-isopropyl-amino]-1-(1-piperidyl)butan-1-one CAS Name: 4-[[2-(4-bromo-2-methoxy-6-methylanilino)-3-methyl-4-benzimidazolyl]-propan-2-ylamino]-1-(1-piperidinyl)-1-butanone IUPAC Name: 4-[[2-(4-bromo-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-propan-2-ylamino]-1-piperidin-1-ylbutan-1-one Traditional Name: 4-[[2-(4-bromo-2-methoxy-6-methyl-anilino)-3-methyl-benzimidazol-4-yl]-isopropyl-amino]-1-piperidino-butan-1-one Formula: C28H38BrN5O2 MolecularWeight: 556.53762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC3=C(N2C)C(=CC=C3)N(CCCC(=O)N4CCCCC4)C(C)C)OC)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC3=C(N2C)C(=CC=C3)N(CCCC(=O)N4CCCCC4)C(C)C)OC)Br

InChI

InChI=1S/C28H38BrN5O2/c1-19(2)34(16-10-13-25(35)33-14-7-6-8-15-33)23-12-9-11-22-27(23)32(4)28(30-22)31-26-20(3)17-21(29)18-24(26)36-5/h9,11-12,17-19H,6-8,10,13-16H2,1-5H3,(H,30,31)