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

Systemtic Name: 1-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one Openeye Name: 1-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]cinnolin-4-one CAS Name: 1-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-4-cinnolinone IUPAC Name: 1-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]cinnolin-4-one Traditional Name: 1-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]cinnolin-4-one Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C23H30N4O3/c28-21-17-24-27(20-8-4-3-7-19(20)21)16-11-22(29)25-14-9-18(10-15-25)23(30)26-12-5-1-2-6-13-26/h3-4,7-8,17-18H,1-2,5-6,9-16H2