ethyl 4-[6-(cyclopropylmethoxy)-3-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[6-(cyclopropylmethoxy)-3-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-benzyl-6-(cyclopropylmethoxy)-3-oxo-1,4-diazepan-1-yl]piperidine-1-carboxylate CAS Name: 4-[6-(cyclopropylmethoxy)-3-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-benzyl-6-(cyclopropylmethoxy)-3-oxo-1,4-diazepan-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-benzyl-6-(cyclopropylmethoxy)-3-keto-1,4-diazepan-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4CC4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4CC4

InChI

InChI=1S/C24H35N3O4/c1-2-30-24(29)25-12-10-21(11-13-25)26-15-22(31-18-20-8-9-20)16-27(23(28)17-26)14-19-6-4-3-5-7-19/h3-7,20-22H,2,8-18H2,1H3