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

Systemtic Name: 11-(3-imidazol-1-ylpropyl)-8-nitro-2-(4-phenylbutyl)-4-propan-2-yl-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione Openeye Name: 11-(3-imidazol-1-ylpropyl)-4-isopropyl-8-nitro-2-(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione CAS Name: 11-[3-(1-imidazolyl)propyl]-8-nitro-2-(4-phenylbutyl)-4-propan-2-yl-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione IUPAC Name: 11-(3-imidazol-1-ylpropyl)-8-nitro-2-(4-phenylbutyl)-4-propan-2-yl-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione Traditional Name: 11-(3-imidazol-1-ylpropyl)-4-isopropyl-8-nitro-2-(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-quinone Formula: C30H36N6O4 MolecularWeight: 544.64464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(CC2N1C(=O)C3=C(N2CCCN4C=CN=C4)C=CC(=C3)[N+](=O)[O-])CCCCC5=CC=CC=C5

Isomeric SMILES

CC(C)C1C(=O)N(CC2N1C(=O)C3=C(N2CCCN4C=CN=C4)C=CC(=C3)[N+](=O)[O-])CCCCC5=CC=CC=C5

InChI

InChI=1S/C30H36N6O4/c1-22(2)28-30(38)33(16-7-6-11-23-9-4-3-5-10-23)20-27-34(17-8-15-32-18-14-31-21-32)26-13-12-24(36(39)40)19-25(26)29(37)35(27)28/h3-5,9-10,12-14,18-19,21-22,27-28H,6-8,11,15-17,20H2,1-2H3