1-(3-chloranyl-4-methyl-phenyl)-4-methyl-2-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]pentan-1-one

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-methyl-2-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]pentan-1-one Openeye Name: 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methyl-phenyl)-4-methyl-pentan-1-one CAS Name: 1-(3-chloro-4-methylphenyl)-4-methyl-2-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]-1-pentanone IUPAC Name: 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-4-methylpentan-1-one Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)methyl]-1-(3-chloro-4-methyl-phenyl)-4-methyl-pentan-1-one Formula: C28H29ClN2O MolecularWeight: 444.99566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)CC(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)CC(C)C)Cl

InChI

InChI=1S/C28H29ClN2O/c1-19(2)15-23(28(32)22-14-13-20(3)24(29)16-22)17-27-30-25-11-7-8-12-26(25)31(27)18-21-9-5-4-6-10-21/h4-14,16,19,23H,15,17-18H2,1-3H3