methyl 1-(3-azanylpropyl)-3-(3-oxidanylidene-6-phenyl-4H-quinoxalin-2-yl)indole-5-carboxylate

Systemtic Name: methyl 1-(3-azanylpropyl)-3-(3-oxidanylidene-6-phenyl-4H-quinoxalin-2-yl)indole-5-carboxylate Openeye Name: methyl 1-(3-aminopropyl)-3-(3-oxo-6-phenyl-4H-quinoxalin-2-yl)indole-5-carboxylate CAS Name: 1-(3-aminopropyl)-3-(3-oxo-6-phenyl-4H-quinoxalin-2-yl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-aminopropyl)-3-(3-oxo-6-phenyl-4H-quinoxalin-2-yl)indole-5-carboxylate Traditional Name: 1-(3-aminopropyl)-3-(3-keto-6-phenyl-4H-quinoxalin-2-yl)indole-5-carboxylic acid methyl ester Formula: C27H24N4O3 MolecularWeight: 452.50446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=C(C=C(C=C4)C5=CC=CC=C5)NC3=O)CCCN

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=C(C=C(C=C4)C5=CC=CC=C5)NC3=O)CCCN

InChI

InChI=1S/C27H24N4O3/c1-34-27(33)19-9-11-24-20(14-19)21(16-31(24)13-5-12-28)25-26(32)30-23-15-18(8-10-22(23)29-25)17-6-3-2-4-7-17/h2-4,6-11,14-16H,5,12-13,28H2,1H3,(H,30,32)