3-[(3-oxidanyl-2-oxidanylidene-1H-pyridin-4-yl)methyl-(phenylmethyl)amino]azepan-2-one

Systemtic Name: 3-[(3-oxidanyl-2-oxidanylidene-1H-pyridin-4-yl)methyl-(phenylmethyl)amino]azepan-2-one Openeye Name: 3-[benzyl-[(3-hydroxy-2-oxo-1H-pyridin-4-yl)methyl]amino]azepan-2-one CAS Name: 3-[(3-hydroxy-2-oxo-1H-pyridin-4-yl)methyl-(phenylmethyl)amino]-2-azepanone IUPAC Name: 3-[benzyl-[(3-hydroxy-2-oxo-1H-pyridin-4-yl)methyl]amino]azepan-2-one Traditional Name: 3-[benzyl-[(3-hydroxy-2-keto-1H-pyridin-4-yl)methyl]amino]azepan-2-one Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=CC=C2)CC3=C(C(=O)NC=C3)O

Isomeric SMILES

C1CCNC(=O)C(C1)N(CC2=CC=CC=C2)CC3=C(C(=O)NC=C3)O

InChI

InChI=1S/C19H23N3O3/c23-17-15(9-11-21-19(17)25)13-22(12-14-6-2-1-3-7-14)16-8-4-5-10-20-18(16)24/h1-3,6-7,9,11,16,23H,4-5,8,10,12-13H2,(H,20,24)(H,21,25)