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

Systemtic Name: propyl 4-[2-azanyl-3-(heptylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C28H33N5O3 MolecularWeight: 487.59332

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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)OCCC)N

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O3/c1-3-5-6-7-10-17-30-27(34)23-24-26(32-22-12-9-8-11-21(22)31-24)33(25(23)29)20-15-13-19(14-16-20)28(35)36-18-4-2/h8-9,11-16H,3-7,10,17-18,29H2,1-2H3,(H,30,34)