2-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl N-(4-methoxyphenyl)carbamate

Systemtic Name: 2-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl N-(4-methoxyphenyl)carbamate Openeye Name: 2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-(4-methoxyphenyl)carbamate CAS Name: N-(4-methoxyphenyl)carbamic acid 2-[7-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl ester IUPAC Name: 2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-(4-methoxyphenyl)carbamate Traditional Name: N-(4-methoxyphenyl)carbamic acid 2-(4-benzyl-7-keto-1,4-diazepan-1-yl)ethyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)OCCN2CCN(CCC2=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)OCCN2CCN(CCC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-28-20-9-7-19(8-10-20)23-22(27)29-16-15-25-14-13-24(12-11-21(25)26)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,23,27)