N-[4-[(4aS,8aR)-2-phenyl-4a,8a-dihydroquinazolin-4-yl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[(4aS,8aR)-2-phenyl-4a,8a-dihydroquinazolin-4-yl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[(4aS,8aR)-2-phenyl-4a,8a-dihydroquinazolin-4-yl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[(4aS,8aR)-2-phenyl-4a,8a-dihydroquinazolin-4-yl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[(4aS,8aR)-2-phenyl-4a,8a-dihydroquinazolin-4-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[(4aS,8aR)-2-phenyl-4a,8a-dihydroquinazolin-4-yl]phenyl]-4-nitro-benzamide Formula: C27H20N4O3 MolecularWeight: 448.4727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3C=CC=CC3C(=N2)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=N[C@@H]3C=CC=C[C@@H]3C(=N2)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O3/c32-27(20-12-16-22(17-13-20)31(33)34)28-21-14-10-18(11-15-21)25-23-8-4-5-9-24(23)29-26(30-25)19-6-2-1-3-7-19/h1-17,23-24H,(H,28,32)/t23-,24+/m0/s1