[2-[4-(5-oxidanylidene-1,4-diazepan-1-yl)piperidin-1-yl]carbonylphenyl]methyl benzoate

Systemtic Name: [2-[4-(5-oxidanylidene-1,4-diazepan-1-yl)piperidin-1-yl]carbonylphenyl]methyl benzoate Openeye Name: [2-[4-(5-oxo-1,4-diazepan-1-yl)piperidine-1-carbonyl]phenyl]methyl benzoate CAS Name: benzoic acid [2-[oxo-[4-(5-oxo-1,4-diazepan-1-yl)-1-piperidinyl]methyl]phenyl]methyl ester IUPAC Name: [2-[4-(5-oxo-1,4-diazepan-1-yl)piperidine-1-carbonyl]phenyl]methyl benzoate Traditional Name: benzoic acid [2-[4-(5-keto-1,4-diazepan-1-yl)piperidine-1-carbonyl]benzyl] ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(=O)NCC2)C(=O)C3=CC=CC=C3COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N2CCC(=O)NCC2)C(=O)C3=CC=CC=C3COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c29-23-12-16-27(17-13-26-23)21-10-14-28(15-11-21)24(30)22-9-5-4-8-20(22)18-32-25(31)19-6-2-1-3-7-19/h1-9,21H,10-18H2,(H,26,29)