pentyl 2-[(3-bromophenyl)carbonylamino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-[(3-bromophenyl)carbonylamino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-[(3-bromobenzoyl)amino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-1-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[(3-bromobenzoyl)amino]-1-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C31H29BrN4O3 MolecularWeight: 585.49096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C31H29BrN4O3/c1-2-3-9-19-39-31(38)26-27-29(34-25-16-8-7-15-24(25)33-27)36(18-17-21-11-5-4-6-12-21)28(26)35-30(37)22-13-10-14-23(32)20-22/h4-8,10-16,20H,2-3,9,17-19H2,1H3,(H,35,37)