4-[[2-[(4-bromanyl-2-methoxy-6-methyl-phenyl)amino]-3-methyl-benzimidazol-4-yl]-propan-2-yl-amino]-1-morpholin-4-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-morpholin-4-yl-butan-1-one Openeye Name: 4-[[2-(4-bromo-2-methoxy-6-methyl-anilino)-3-methyl-benzimidazol-4-yl]-isopropyl-amino]-1-morpholino-butan-1-one CAS Name: 4-[[2-(4-bromo-2-methoxy-6-methylanilino)-3-methyl-4-benzimidazolyl]-propan-2-ylamino]-1-(4-morpholinyl)-1-butanone IUPAC Name: 4-[[2-(4-bromo-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-propan-2-ylamino]-1-morpholin-4-ylbutan-1-one Traditional Name: 4-[[2-(4-bromo-2-methoxy-6-methyl-anilino)-3-methyl-benzimidazol-4-yl]-isopropyl-amino]-1-morpholino-butan-1-one Formula: C27H36BrN5O3 MolecularWeight: 558.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC3=C(N2C)C(=CC=C3)N(CCCC(=O)N4CCOCC4)C(C)C)OC)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC3=C(N2C)C(=CC=C3)N(CCCC(=O)N4CCOCC4)C(C)C)OC)Br

InChI

InChI=1S/C27H36BrN5O3/c1-18(2)33(11-7-10-24(34)32-12-14-36-15-13-32)22-9-6-8-21-26(22)31(4)27(29-21)30-25-19(3)16-20(28)17-23(25)35-5/h6,8-9,16-18H,7,10-15H2,1-5H3,(H,29,30)