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

Systemtic Name: 1-[2-methyl-5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]-4-nitro-3-phenyl-butan-1-one Openeye Name: 1-[2-methyl-5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]-4-nitro-3-phenyl-butan-1-one CAS Name: 1-[2-methyl-5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]-4-nitro-3-phenyl-1-butanone IUPAC Name: 1-[2-methyl-5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]-4-nitro-3-phenylbutan-1-one Traditional Name: 1-[2-methyl-5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]-4-nitro-3-phenyl-butan-1-one Formula: C28H24N2O3 MolecularWeight: 436.50176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=C(CC2)C(=O)CC(C[N+](=O)[O-])C3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=C1)C(=C(CC2)C(=O)CC(C[N+](=O)[O-])C3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H24N2O3/c1-20-12-14-25-24(15-13-21-8-4-2-5-9-21)26(16-17-27(25)29-20)28(31)18-23(19-30(32)33)22-10-6-3-7-11-22/h2-12,14,23H,16-19H2,1H3