1-(1-adamantylmethyl)-6-nitro-4-phenyl-quinazolin-2-one

Systemtic Name: 1-(1-adamantylmethyl)-6-nitro-4-phenyl-quinazolin-2-one Openeye Name: 1-(1-adamantylmethyl)-6-nitro-4-phenyl-quinazolin-2-one CAS Name: 1-(1-adamantylmethyl)-6-nitro-4-phenyl-2-quinazolinone IUPAC Name: 1-(1-adamantylmethyl)-6-nitro-4-phenylquinazolin-2-one Traditional Name: 1-(1-adamantylmethyl)-6-nitro-4-phenyl-quinazolin-2-one Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C=C(C=C5)[N+](=O)[O-])C(=NC4=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C=C(C=C5)[N+](=O)[O-])C(=NC4=O)C6=CC=CC=C6

InChI

InChI=1S/C25H25N3O3/c29-24-26-23(19-4-2-1-3-5-19)21-11-20(28(30)31)6-7-22(21)27(24)15-25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18H,8-10,12-15H2