1-[(5-chloranyl-2-ethoxy-phenyl)-(3-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-2-ethoxy-phenyl)-(3-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-ethoxy-phenyl)-(m-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-ethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-ethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-ethoxy-phenyl)-(m-tolyl)methyl]-1,4-diazepane Formula: C21H27ClN2O MolecularWeight: 358.90488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=CC(=C2)C)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=CC(=C2)C)N3CCCNCC3

InChI

InChI=1S/C21H27ClN2O/c1-3-25-20-9-8-18(22)15-19(20)21(17-7-4-6-16(2)14-17)24-12-5-10-23-11-13-24/h4,6-9,14-15,21,23H,3,5,10-13H2,1-2H3