4-nitro-3-phenyl-1-[5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]butan-1-one

Systemtic Name: 4-nitro-3-phenyl-1-[5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]butan-1-one Openeye Name: 4-nitro-3-phenyl-1-[5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]butan-1-one CAS Name: 4-nitro-3-phenyl-1-[5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]-1-butanone IUPAC Name: 4-nitro-3-phenyl-1-[5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]butan-1-one Traditional Name: 4-nitro-3-phenyl-1-[5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]butan-1-one Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=N2)C(=C1C(=O)CC(C[N+](=O)[O-])C3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C=CC=N2)C(=C1C(=O)CC(C[N+](=O)[O-])C3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H22N2O3/c30-27(18-22(19-29(31)32)21-10-5-2-6-11-21)25-15-16-26-24(12-7-17-28-26)23(25)14-13-20-8-3-1-4-9-20/h1-12,17,22H,15-16,18-19H2