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

Systemtic Name: 2-(3-methoxyphenyl)ethyl 4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-(3-methoxyphenyl)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-(3-methoxyphenyl)ethyl ester IUPAC Name: 2-(3-methoxyphenyl)ethyl 4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-(3,4-dichlorobenzyl)-1,4-diazepane-1-carboxylic acid 2-(3-methoxyphenyl)ethyl ester Formula: C22H26Cl2N2O3 MolecularWeight: 437.35944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCOC(=O)N2CCCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CCOC(=O)N2CCCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H26Cl2N2O3/c1-28-19-5-2-4-17(14-19)8-13-29-22(27)26-10-3-9-25(11-12-26)16-18-6-7-20(23)21(24)15-18/h2,4-7,14-15H,3,8-13,16H2,1H3