methyl 1-(3-azanylpropyl)-3-(7-methoxy-3-oxidanylidene-4H-quinoxalin-2-yl)indole-5-carboxylate

Systemtic Name: methyl 1-(3-azanylpropyl)-3-(7-methoxy-3-oxidanylidene-4H-quinoxalin-2-yl)indole-5-carboxylate Openeye Name: methyl 1-(3-aminopropyl)-3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)indole-5-carboxylate CAS Name: 1-(3-aminopropyl)-3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-aminopropyl)-3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)indole-5-carboxylate Traditional Name: 1-(3-aminopropyl)-3-(3-keto-7-methoxy-4H-quinoxalin-2-yl)indole-5-carboxylic acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)C(=O)OC)CCCN

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)C(=O)OC)CCCN

InChI

InChI=1S/C22H22N4O4/c1-29-14-5-6-17-18(11-14)24-20(21(27)25-17)16-12-26(9-3-8-23)19-7-4-13(10-15(16)19)22(28)30-2/h4-7,10-12H,3,8-9,23H2,1-2H3,(H,25,27)