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

Systemtic Name: methyl 1-(3-azanylpropyl)-3-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)indole-5-carboxylate Openeye Name: methyl 1-(3-aminopropyl)-3-(4-methyl-3-oxo-quinoxalin-2-yl)indole-5-carboxylate CAS Name: 1-(3-aminopropyl)-3-(4-methyl-3-oxo-2-quinoxalinyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-aminopropyl)-3-(4-methyl-3-oxoquinoxalin-2-yl)indole-5-carboxylate Traditional Name: 1-(3-aminopropyl)-3-(3-keto-4-methyl-quinoxalin-2-yl)indole-5-carboxylic acid methyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C(C1=O)C3=CN(C4=C3C=C(C=C4)C(=O)OC)CCCN

Isomeric SMILES

CN1C2=CC=CC=C2N=C(C1=O)C3=CN(C4=C3C=C(C=C4)C(=O)OC)CCCN

InChI

InChI=1S/C22H22N4O3/c1-25-19-7-4-3-6-17(19)24-20(21(25)27)16-13-26(11-5-10-23)18-9-8-14(12-15(16)18)22(28)29-2/h3-4,6-9,12-13H,5,10-11,23H2,1-2H3