4-[[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]methyl]benzoate

Systemtic Name: 4-[[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]methyl]benzoate Openeye Name: 4-[[5-(azepan-1-yl)-2-oxo-1-pyridyl]methyl]benzoate CAS Name: 4-[[5-(1-azepanyl)-2-oxo-1-pyridinyl]methyl]benzoate IUPAC Name: 4-[[5-(azepan-1-yl)-2-oxopyridin-1-yl]methyl]benzoate Traditional Name: 4-[[5-(azepan-1-yl)-2-keto-1-pyridyl]methyl]benzoate Formula: C19H21N2O3- MolecularWeight: 325.38164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CN(C(=O)C=C2)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CN(C(=O)C=C2)CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N2O3/c22-18-10-9-17(20-11-3-1-2-4-12-20)14-21(18)13-15-5-7-16(8-6-15)19(23)24/h5-10,14H,1-4,11-13H2,(H,23,24)/p-1