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

Systemtic Name: methyl 1-(3-azanylpropyl)-3-(3-oxidanylidene-4H-quinoxalin-2-yl)indole-5-carboxylate Openeye Name: methyl 1-(3-aminopropyl)-3-(3-oxo-4H-quinoxalin-2-yl)indole-5-carboxylate CAS Name: 1-(3-aminopropyl)-3-(3-oxo-4H-quinoxalin-2-yl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-aminopropyl)-3-(3-oxo-4H-quinoxalin-2-yl)indole-5-carboxylate Traditional Name: 1-(3-aminopropyl)-3-(3-keto-4H-quinoxalin-2-yl)indole-5-carboxylic acid methyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=CC=CC=C4NC3=O)CCCN

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=CC=CC=C4NC3=O)CCCN

InChI

InChI=1S/C21H20N4O3/c1-28-21(27)13-7-8-18-14(11-13)15(12-25(18)10-4-9-22)19-20(26)24-17-6-3-2-5-16(17)23-19/h2-3,5-8,11-12H,4,9-10,22H2,1H3,(H,24,26)