4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-6-chloranyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-6-chloranyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethyl]-6-chloro-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one Traditional Name: 4-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethyl]-6-chloro-1,4-benzoxazin-3-one Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C22H28ClN3O4/c23-17-5-6-19-18(13-17)26(21(28)15-30-19)14-20(27)24-11-7-16(8-12-24)22(29)25-9-3-1-2-4-10-25/h5-6,13,16H,1-4,7-12,14-15H2