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

Systemtic Name: pentyl 2-[(3-bromophenyl)carbonylamino]-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-[(3-bromobenzoyl)amino]-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-1-butyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[(3-bromobenzoyl)amino]-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C27H29BrN4O3 MolecularWeight: 537.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN4O3/c1-3-5-9-16-35-27(34)22-23-25(30-21-14-8-7-13-20(21)29-23)32(15-6-4-2)24(22)31-26(33)18-11-10-12-19(28)17-18/h7-8,10-14,17H,3-6,9,15-16H2,1-2H3,(H,31,33)