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

Systemtic Name: pentyl 2-[(3-bromophenyl)carbonylamino]-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-[(3-bromobenzoyl)amino]-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-1-phenyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[(3-bromobenzoyl)amino]-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C29H25BrN4O3 MolecularWeight: 557.4378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25BrN4O3/c1-2-3-9-17-37-29(36)24-25-27(32-23-16-8-7-15-22(23)31-25)34(21-13-5-4-6-14-21)26(24)33-28(35)19-11-10-12-20(30)18-19/h4-8,10-16,18H,2-3,9,17H2,1H3,(H,33,35)