pentyl 1-(phenylmethyl)-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 1-(phenylmethyl)-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 1-benzyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[(1-oxo-3-phenylprop-2-enyl)amino]-1-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 1-benzyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-benzyl-2-cinnamamido-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C32H30N4O3 MolecularWeight: 518.6056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C=CC5=CC=CC=C5

InChI

InChI=1S/C32H30N4O3/c1-2-3-12-21-39-32(38)28-29-31(34-26-18-11-10-17-25(26)33-29)36(22-24-15-8-5-9-16-24)30(28)35-27(37)20-19-23-13-6-4-7-14-23/h4-11,13-20H,2-3,12,21-22H2,1H3,(H,35,37)