3-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]-1,2,3-benzotriazin-4-one Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H29N5O3/c28-20(11-16-27-22(30)18-7-3-4-8-19(18)23-24-27)25-14-9-17(10-15-25)21(29)26-12-5-1-2-6-13-26/h3-4,7-8,17H,1-2,5-6,9-16H2