4-cyclohexyl-7-nitro-6-[3-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]-1H-quinoxaline-2,3-dione

Systemtic Name: 4-cyclohexyl-7-nitro-6-[3-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]-1H-quinoxaline-2,3-dione Openeye Name: 4-cyclohexyl-7-nitro-6-[3-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]-1H-quinoxaline-2,3-dione CAS Name: 4-cyclohexyl-7-nitro-6-[3-[(4-phenyl-1-piperazinyl)methyl]-1-pyrrolyl]-1H-quinoxaline-2,3-dione IUPAC Name: 4-cyclohexyl-7-nitro-6-[3-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]-1H-quinoxaline-2,3-dione Traditional Name: 4-cyclohexyl-7-nitro-6-[3-[(4-phenylpiperazino)methyl]pyrrol-1-yl]-1H-quinoxaline-2,3-quinone Formula: C29H32N6O4 MolecularWeight: 528.60218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=CC(=C(C=C3NC(=O)C2=O)[N+](=O)[O-])N4C=CC(=C4)CN5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=CC(=C(C=C3NC(=O)C2=O)[N+](=O)[O-])N4C=CC(=C4)CN5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C29H32N6O4/c36-28-29(37)34(23-9-5-2-6-10-23)25-18-26(27(35(38)39)17-24(25)30-28)33-12-11-21(20-33)19-31-13-15-32(16-14-31)22-7-3-1-4-8-22/h1,3-4,7-8,11-12,17-18,20,23H,2,5-6,9-10,13-16,19H2,(H,30,36)