[6-(7-chloranyl-1,8-naphthyridin-2-yl)-7-oxidanylidene-5H-pyrrolo[3,4-b]pyridin-5-yl] N-butylcarbamate

Systemtic Name: [6-(7-chloranyl-1,8-naphthyridin-2-yl)-7-oxidanylidene-5H-pyrrolo[3,4-b]pyridin-5-yl] N-butylcarbamate Openeye Name: [6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-5H-pyrrolo[3,4-b]pyridin-5-yl] N-butylcarbamate CAS Name: N-butylcarbamic acid [6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-5H-pyrrolo[3,4-b]pyridin-5-yl] ester IUPAC Name: [6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-5H-pyrrolo[3,4-b]pyridin-5-yl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [6-(7-chloro-1,8-naphthyridin-2-yl)-7-keto-5H-pyrrolo[3,4-b]pyridin-5-yl] ester Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1C2=C(C(=O)N1C3=NC4=C(C=C3)C=CC(=N4)Cl)N=CC=C2

Isomeric SMILES

CCCCNC(=O)OC1C2=C(C(=O)N1C3=NC4=C(C=C3)C=CC(=N4)Cl)N=CC=C2

InChI

InChI=1S/C20H18ClN5O3/c1-2-3-10-23-20(28)29-19-13-5-4-11-22-16(13)18(27)26(19)15-9-7-12-6-8-14(21)24-17(12)25-15/h4-9,11,19H,2-3,10H2,1H3,(H,23,28)