methyl N-[5-oxidanylidene-1,4-bis(phenylmethyl)-1,4-diazepan-6-yl]carbamate

Systemtic Name: methyl N-[5-oxidanylidene-1,4-bis(phenylmethyl)-1,4-diazepan-6-yl]carbamate Openeye Name: methyl N-(1,4-dibenzyl-5-oxo-1,4-diazepan-6-yl)carbamate CAS Name: N-[5-oxo-1,4-bis(phenylmethyl)-1,4-diazepan-6-yl]carbamic acid methyl ester IUPAC Name: methyl N-(1,4-dibenzyl-5-oxo-1,4-diazepan-6-yl)carbamate Traditional Name: N-(1,4-dibenzyl-5-keto-1,4-diazepan-6-yl)carbamic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1CN(CCN(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)NC1CN(CCN(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-27-21(26)22-19-16-23(14-17-8-4-2-5-9-17)12-13-24(20(19)25)15-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,22,26)