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

Systemtic Name: pentyl 2-[(4-chlorophenyl)carbonylamino]-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-[(4-chlorobenzoyl)amino]-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-1-phenyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[(4-chlorobenzoyl)amino]-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[(4-chlorobenzoyl)amino]-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C29H25ClN4O3 MolecularWeight: 512.9868

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H25ClN4O3/c1-2-3-9-18-37-29(36)24-25-27(32-23-13-8-7-12-22(23)31-25)34(21-10-5-4-6-11-21)26(24)33-28(35)19-14-16-20(30)17-15-19/h4-8,10-17H,2-3,9,18H2,1H3,(H,33,35)