methyl 1-(3-azanylpropyl)-3-[6,7-bis(chloranyl)-3-oxidanylidene-4H-quinoxalin-2-yl]indole-5-carboxylate

Systemtic Name: methyl 1-(3-azanylpropyl)-3-[6,7-bis(chloranyl)-3-oxidanylidene-4H-quinoxalin-2-yl]indole-5-carboxylate Openeye Name: methyl 1-(3-aminopropyl)-3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)indole-5-carboxylate CAS Name: 1-(3-aminopropyl)-3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-aminopropyl)-3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)indole-5-carboxylate Traditional Name: 1-(3-aminopropyl)-3-(6,7-dichloro-3-keto-4H-quinoxalin-2-yl)indole-5-carboxylic acid methyl ester Formula: C21H18Cl2N4O3 MolecularWeight: 445.29862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N4O3/c1-30-21(29)11-3-4-18-12(7-11)13(10-27(18)6-2-5-24)19-20(28)26-17-9-15(23)14(22)8-16(17)25-19/h3-4,7-10H,2,5-6,24H2,1H3,(H,26,28)