N-phenethyl-1-(phenylmethyl)-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: N-phenethyl-1-(phenylmethyl)-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 1-benzyl-N-phenethyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-[(1-oxo-3-phenylprop-2-enyl)amino]-N-phenethyl-1-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 1-benzyl-N-phenethyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 1-benzyl-2-cinnamamido-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C35H29N5O2 MolecularWeight: 551.63706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=CC=C5)NC(=O)C=CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=CC=C5)NC(=O)C=CC6=CC=CC=C6

InChI

InChI=1S/C35H29N5O2/c41-30(21-20-25-12-4-1-5-13-25)39-33-31(35(42)36-23-22-26-14-6-2-7-15-26)32-34(38-29-19-11-10-18-28(29)37-32)40(33)24-27-16-8-3-9-17-27/h1-21H,22-24H2,(H,36,42)(H,39,41)