1-cyclohexyl-4-[5-(methoxymethyl)furan-2-yl]carbonyl-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[5-(methoxymethyl)furan-2-yl]carbonyl-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-cyclohexyl-4-[5-(methoxymethyl)furan-2-carbonyl]-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[[5-(methoxymethyl)-2-furanyl]-oxomethyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[5-(methoxymethyl)furan-2-carbonyl]-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-cyclohexyl-4-[5-(methoxymethyl)-2-furoyl]-1,4-diazepan-2-one Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COCC1=CC=C(O1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O5/c1-30-18-21-12-13-23(32-21)25(29)26-14-22(31-17-19-8-4-2-5-9-19)15-27(24(28)16-26)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,20,22H,3,6-7,10-11,14-18H2,1H3