ethyl 4-[4-(oxan-4-ylmethyl)-3-oxidanylidene-6-phenylmethoxy-1,4-diazepan-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(oxan-4-ylmethyl)-3-oxidanylidene-6-phenylmethoxy-1,4-diazepan-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[6-benzyloxy-3-oxo-4-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-oxanylmethyl)-3-oxo-6-phenylmethoxy-1,4-diazepan-1-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(oxan-4-ylmethyl)-3-oxo-6-phenylmethoxy-1,4-diazepan-1-yl]piperidine-1-carboxylate Traditional Name: 4-[6-benzoxy-3-keto-4-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C26H39N3O5 MolecularWeight: 473.60496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H39N3O5/c1-2-33-26(31)27-12-8-23(9-13-27)28-17-24(34-20-22-6-4-3-5-7-22)18-29(25(30)19-28)16-21-10-14-32-15-11-21/h3-7,21,23-24H,2,8-20H2,1H3