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

Systemtic Name: pentyl 2-[(3-bromophenyl)carbonylamino]-1-prop-2-enyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 1-allyl-2-[(3-bromobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-1-prop-2-enyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[(3-bromobenzoyl)amino]-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-allyl-2-[(3-bromobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C26H25BrN4O3 MolecularWeight: 521.4057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN4O3/c1-3-5-8-15-34-26(33)21-22-24(29-20-13-7-6-12-19(20)28-22)31(14-4-2)23(21)30-25(32)17-10-9-11-18(27)16-17/h4,6-7,9-13,16H,2-3,5,8,14-15H2,1H3,(H,30,32)