4-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]-1,4-benzoxazin-3-one Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C23H31N3O4/c27-21(11-16-26-19-7-3-4-8-20(19)30-17-22(26)28)24-14-9-18(10-15-24)23(29)25-12-5-1-2-6-13-25/h3-4,7-8,18H,1-2,5-6,9-17H2