2-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]-4H-isoquinoline-1,3-quinone Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H31N3O4/c28-21(11-16-27-22(29)17-19-7-3-4-8-20(19)24(27)31)25-14-9-18(10-15-25)23(30)26-12-5-1-2-6-13-26/h3-4,7-8,18H,1-2,5-6,9-17H2