methyl (5Z)-3-oxidanylidene-5-phenyl-1,4-bis(phenylmethyl)-7,8-dihydro-2H-1,4-diazocine-7-carboxylate

Systemtic Name: methyl (5Z)-3-oxidanylidene-5-phenyl-1,4-bis(phenylmethyl)-7,8-dihydro-2H-1,4-diazocine-7-carboxylate Openeye Name: methyl (5Z)-1,4-dibenzyl-3-oxo-5-phenyl-7,8-dihydro-2H-1,4-diazocine-7-carboxylate CAS Name: (5Z)-3-oxo-5-phenyl-1,4-bis(phenylmethyl)-7,8-dihydro-2H-1,4-diazocine-7-carboxylic acid methyl ester IUPAC Name: methyl (5Z)-1,4-dibenzyl-3-oxo-5-phenyl-7,8-dihydro-2H-1,4-diazocine-7-carboxylate Traditional Name: (5Z)-1,4-dibenzyl-3-keto-5-phenyl-7,8-dihydro-2H-1,4-diazocine-7-carboxylic acid methyl ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC(=O)N(C(=C1)C2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C/1CN(CC(=O)N(/C(=C1)/C2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3/c1-33-28(32)25-17-26(24-15-9-4-10-16-24)30(19-23-13-7-3-8-14-23)27(31)21-29(20-25)18-22-11-5-2-6-12-22/h2-17,25H,18-21H2,1H3/b26-17-