1-[(2-chloranyl-3,4-dimethoxy-phenyl)methyl]-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-[(2-chloranyl-3,4-dimethoxy-phenyl)methyl]-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-[(2-chloro-3,4-dimethoxy-phenyl)methyl]-4-(m-tolylmethyl)-1,4-diazepan-5-one CAS Name: 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(2-chloro-3,4-dimethoxy-benzyl)-4-(3-methylbenzyl)-1,4-diazepan-5-one Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CCC2=O)CC3=C(C(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CCC2=O)CC3=C(C(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C22H27ClN2O3/c1-16-5-4-6-17(13-16)14-25-12-11-24(10-9-20(25)26)15-18-7-8-19(27-2)22(28-3)21(18)23/h4-8,13H,9-12,14-15H2,1-3H3