6-nitro-2-[1-(1-phenylethyl)piperidin-4-yl]benzo[de]isoquinoline-1,3-dione hydrochloride

Systemtic Name: 6-nitro-2-[1-(1-phenylethyl)piperidin-4-yl]benzo[de]isoquinoline-1,3-dione hydrochloride Openeye Name: 6-nitro-2-[1-(1-phenylethyl)-4-piperidyl]benzo[de]isoquinoline-1,3-dione hydrochloride CAS Name: 6-nitro-2-[1-(1-phenylethyl)-4-piperidinyl]benzo[de]isoquinoline-1,3-dione hydrochloride IUPAC Name: 6-nitro-2-[1-(1-phenylethyl)piperidin-4-yl]benzo[de]isoquinoline-1,3-dione hydrochloride Traditional Name: 6-nitro-2-[1-(1-phenylethyl)-4-piperidyl]benzo[de]isoquinoline-1,3-quinone hydrochloride Formula: C25H24ClN3O4 MolecularWeight: 465.92876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC(CC2)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O.Cl

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCC(CC2)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O.Cl

InChI

InChI=1S/C25H23N3O4.ClH/c1-16(17-6-3-2-4-7-17)26-14-12-18(13-15-26)27-24(29)20-9-5-8-19-22(28(31)32)11-10-21(23(19)20)25(27)30;/h2-11,16,18H,12-15H2,1H3;1H