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

Systemtic Name: pentyl 2-[(4-chlorophenyl)carbonylamino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C31H29ClN4O3 MolecularWeight: 541.03996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCOC(=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/C31H29ClN4O3/c1-2-3-9-20-39-31(38)26-27-29(34-25-13-8-7-12-24(25)33-27)36(19-18-21-10-5-4-6-11-21)28(26)35-30(37)22-14-16-23(32)17-15-22/h4-8,10-17H,2-3,9,18-20H2,1H3,(H,35,37)