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

Systemtic Name: ethyl 4-[2-azanyl-3-(heptylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H31N5O3 MolecularWeight: 473.56674

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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)OCC)N

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O3/c1-3-5-6-7-10-17-29-26(33)22-23-25(31-21-12-9-8-11-20(21)30-23)32(24(22)28)19-15-13-18(14-16-19)27(34)35-4-2/h8-9,11-16H,3-7,10,17,28H2,1-2H3,(H,29,33)