pentyl 1-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 1-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 1-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-1-phenyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 1-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-phenyl-2-[[(E)-3-phenylacryloyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C31H28N4O3 MolecularWeight: 504.57902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC=C4)NC(=O)C=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H28N4O3/c1-2-3-12-21-38-31(37)27-28-30(33-25-18-11-10-17-24(25)32-28)35(23-15-8-5-9-16-23)29(27)34-26(36)20-19-22-13-6-4-7-14-22/h4-11,13-20H,2-3,12,21H2,1H3,(H,34,36)/b20-19+