1-(azepan-1-yl)-3-[2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]benzimidazol-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]benzimidazol-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[2-[(2-isopropyl-5-methyl-phenoxy)methyl]benzimidazol-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-benzimidazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[2-[(2-isopropyl-5-methyl-phenoxy)methyl]benzimidazol-1-yl]propan-1-one Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O2/c1-20(2)22-13-12-21(3)18-25(22)32-19-26-28-23-10-6-7-11-24(23)30(26)17-14-27(31)29-15-8-4-5-9-16-29/h6-7,10-13,18,20H,4-5,8-9,14-17,19H2,1-3H3