4-cyclohexyl-11-(3-imidazol-1-ylpropyl)-8-nitro-2-(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

Systemtic Name: 4-cyclohexyl-11-(3-imidazol-1-ylpropyl)-8-nitro-2-(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione Openeye Name: 4-cyclohexyl-11-(3-imidazol-1-ylpropyl)-8-nitro-2-(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione CAS Name: 4-cyclohexyl-11-[3-(1-imidazolyl)propyl]-8-nitro-2-(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione IUPAC Name: 4-cyclohexyl-11-(3-imidazol-1-ylpropyl)-8-nitro-2-(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione Traditional Name: 4-cyclohexyl-11-(3-imidazol-1-ylpropyl)-8-nitro-2-(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-quinone Formula: C33H40N6O4 MolecularWeight: 584.7085

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2C(=O)N(CC3N2C(=O)C4=C(N3CCCN5C=CN=C5)C=CC(=C4)[N+](=O)[O-])CCCCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2C(=O)N(CC3N2C(=O)C4=C(N3CCCN5C=CN=C5)C=CC(=C4)[N+](=O)[O-])CCCCC6=CC=CC=C6

InChI

InChI=1S/C33H40N6O4/c40-32-28-22-27(39(42)43)15-16-29(28)37(20-9-18-35-21-17-34-24-35)30-23-36(19-8-7-12-25-10-3-1-4-11-25)33(41)31(38(30)32)26-13-5-2-6-14-26/h1,3-4,10-11,15-17,21-22,24,26,30-31H,2,5-9,12-14,18-20,23H2