[4-(3-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]-phenyl-methanone

Systemtic Name: [4-(3-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]-phenyl-methanone Openeye Name: [4-(3-bromo-5-ethoxy-4-isopropoxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]-phenyl-methanone CAS Name: [4-(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]-phenylmethanone IUPAC Name: [4-(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]-phenylmethanone Traditional Name: [4-(3-bromo-5-ethoxy-4-isopropoxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]-phenyl-methanone Formula: C29H28BrN3O3 MolecularWeight: 546.45492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)C)C(=O)C5=CC=CC=C5)Br)OC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)C)C(=O)C5=CC=CC=C5)Br)OC(C)C

InChI

InChI=1S/C29H28BrN3O3/c1-5-35-24-16-20(15-21(30)28(24)36-17(2)3)26-25(27(34)19-11-7-6-8-12-19)18(4)31-29-32-22-13-9-10-14-23(22)33(26)29/h6-17,26H,5H2,1-4H3,(H,31,32)