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

Systemtic Name: (2R)-2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2R)-2-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: (2R)-2-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2R)-2-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2R)-2-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethyl]-4H-1,4-benzoxazin-3-one Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C[C@@H]3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C22H29N3O4/c26-20(15-19-21(27)23-17-7-3-4-8-18(17)29-19)24-13-9-16(10-14-24)22(28)25-11-5-1-2-6-12-25/h3-4,7-8,16,19H,1-2,5-6,9-15H2,(H,23,27)/t19-/m1/s1