methyl 4-[[6-(cyclopropylmethoxy)-3-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[6-(cyclopropylmethoxy)-3-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-benzyl-6-(cyclopropylmethoxy)-3-oxo-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[6-(cyclopropylmethoxy)-3-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-benzyl-6-(cyclopropylmethoxy)-3-oxo-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-benzyl-6-(cyclopropylmethoxy)-3-keto-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4CC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4CC4

InChI

InChI=1S/C25H30N2O4/c1-30-25(29)22-11-9-20(10-12-22)13-26-15-23(31-18-21-7-8-21)16-27(24(28)17-26)14-19-5-3-2-4-6-19/h2-6,9-12,21,23H,7-8,13-18H2,1H3