methyl 4-[2-azanyl-3-(heptylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-3-(heptylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: methyl 4-[2-amino-3-(heptylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[(heptylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-(heptylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(heptylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid methyl ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OC)N

Isomeric SMILES

CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OC)N

InChI

InChI=1S/C26H29N5O3/c1-3-4-5-6-9-16-28-25(32)21-22-24(30-20-11-8-7-10-19(20)29-22)31(23(21)27)18-14-12-17(13-15-18)26(33)34-2/h7-8,10-15H,3-6,9,16,27H2,1-2H3,(H,28,32)