2-[2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(2-methyl-3-nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(2-methyl-3-nitro-benzoyl)piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C26H24N4O5/c1-17-19(7-4-10-22(17)30(34)35)24(31)28-14-11-27(12-15-28)13-16-29-25(32)20-8-2-5-18-6-3-9-21(23(18)20)26(29)33/h2-10H,11-16H2,1H3