1-[(5-chloranyl-2-methoxy-phenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane Formula: C21H27ClN2O MolecularWeight: 358.90488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCNCC3)C

InChI

InChI=1S/C21H27ClN2O/c1-15-5-7-18(16(2)13-15)21(24-11-4-9-23-10-12-24)19-14-17(22)6-8-20(19)25-3/h5-8,13-14,21,23H,4,9-12H2,1-3H3