1-(2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethyl)-6-nitro-4-phenyl-quinazolin-2-one

Systemtic Name: 1-(2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethyl)-6-nitro-4-phenyl-quinazolin-2-one Openeye Name: 1-(2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethyl)-6-nitro-4-phenyl-quinazolin-2-one CAS Name: 1-(2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethyl)-6-nitro-4-phenyl-2-quinazolinone IUPAC Name: 1-(2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethyl)-6-nitro-4-phenylquinazolin-2-one Traditional Name: 1-(2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethyl)-6-nitro-4-phenyl-quinazolin-2-one Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCCC2(C1)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=NC3=O)C5=CC=CC=C5

Isomeric SMILES

C1CC2CCCC2(C1)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C23H23N3O3/c27-22-24-21(16-6-2-1-3-7-16)19-14-18(26(28)29)10-11-20(19)25(22)15-23-12-4-8-17(23)9-5-13-23/h1-3,6-7,10-11,14,17H,4-5,8-9,12-13,15H2