ethyl 2-azanyl-1-[4-(3-phenylprop-2-enoylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-[4-(3-phenylprop-2-enoylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-[4-(3-phenylprop-2-enoylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[4-[(1-oxo-3-phenylprop-2-enyl)amino]phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-[4-(3-phenylprop-2-enoylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-cinnamamidophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C28H23N5O3 MolecularWeight: 477.51392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23N5O3/c1-2-36-28(35)24-25-27(32-22-11-7-6-10-21(22)31-25)33(26(24)29)20-15-13-19(14-16-20)30-23(34)17-12-18-8-4-3-5-9-18/h3-17H,2,29H2,1H3,(H,30,34)