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

Systemtic Name: ethyl 2-[(4-chlorophenyl)carbonylamino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-[(4-chlorobenzoyl)amino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-1-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorobenzoyl)amino]-1-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[(4-chlorobenzoyl)amino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C28H23ClN4O3 MolecularWeight: 498.96022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23ClN4O3/c1-2-36-28(35)23-24-26(31-22-11-7-6-10-21(22)30-24)33(17-16-18-8-4-3-5-9-18)25(23)32-27(34)19-12-14-20(29)15-13-19/h3-15H,2,16-17H2,1H3,(H,32,34)