methyl 1,4-bis(phenylmethyl)-1,4-diazepane-5-carboxylate dihydrochloride

Systemtic Name: methyl 1,4-bis(phenylmethyl)-1,4-diazepane-5-carboxylate dihydrochloride Openeye Name: methyl 1,4-dibenzyl-1,4-diazepane-5-carboxylate dihydrochloride CAS Name: 1,4-bis(phenylmethyl)-1,4-diazepane-5-carboxylic acid methyl ester dihydrochloride IUPAC Name: methyl 1,4-dibenzyl-1,4-diazepane-5-carboxylate dihydrochloride Traditional Name: 1,4-dibenzyl-1,4-diazepane-5-carboxylic acid methyl ester dihydrochloride Formula: C21H28Cl2N2O2 MolecularWeight: 411.36522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

COC(=O)C1CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H26N2O2.2ClH/c1-25-21(24)20-12-13-22(16-18-8-4-2-5-9-18)14-15-23(20)17-19-10-6-3-7-11-19;;/h2-11,20H,12-17H2,1H3;2*1H