2-(4-methylphenyl)ethyl 4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: 2-(4-methylphenyl)ethyl 4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-(p-tolyl)ethyl 4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carboxylic acid 2-(4-methylphenyl)ethyl ester IUPAC Name: 2-(4-methylphenyl)ethyl 4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-(3,4-dichlorobenzyl)-1,4-diazepane-1-carboxylic acid 2-(p-tolyl)ethyl ester Formula: C22H26Cl2N2O2 MolecularWeight: 421.36004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCOC(=O)N2CCCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CCOC(=O)N2CCCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H26Cl2N2O2/c1-17-3-5-18(6-4-17)9-14-28-22(27)26-11-2-10-25(12-13-26)16-19-7-8-20(23)21(24)15-19/h3-8,15H,2,9-14,16H2,1H3