ethyl 2-azanyl-1-[2-[(4-bromophenyl)carbonylamino]ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-[2-[(4-bromophenyl)carbonylamino]ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-[2-[(4-bromobenzoyl)amino]ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[2-[[(4-bromophenyl)-oxomethyl]amino]ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-[2-[(4-bromobenzoyl)amino]ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[2-[(4-bromobenzoyl)amino]ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C22H20BrN5O3 MolecularWeight: 482.3299

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCNC(=O)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCNC(=O)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C22H20BrN5O3/c1-2-31-22(30)17-18-20(27-16-6-4-3-5-15(16)26-18)28(19(17)24)12-11-25-21(29)13-7-9-14(23)10-8-13/h3-10H,2,11-12,24H2,1H3,(H,25,29)