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

Systemtic Name: pentyl 1-butyl-2-[(4-chlorophenyl)carbonylamino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 1-butyl-2-[(4-chlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 1-butyl-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 1-butyl-2-[(4-chlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-butyl-2-[(4-chlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C27H29ClN4O3 MolecularWeight: 492.99716

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4O3/c1-3-5-9-17-35-27(34)22-23-25(30-21-11-8-7-10-20(21)29-23)32(16-6-4-2)24(22)31-26(33)18-12-14-19(28)15-13-18/h7-8,10-15H,3-6,9,16-17H2,1-2H3,(H,31,33)