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

Systemtic Name: N-butyl-1-(phenylmethyl)-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 1-benzyl-N-butyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: N-butyl-2-[(1-oxo-3-phenylprop-2-enyl)amino]-1-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 1-benzyl-N-butyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 1-benzyl-N-butyl-2-cinnamamido-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C31H29N5O2 MolecularWeight: 503.59426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29N5O2/c1-2-3-20-32-31(38)27-28-30(34-25-17-11-10-16-24(25)33-28)36(21-23-14-8-5-9-15-23)29(27)35-26(37)19-18-22-12-6-4-7-13-22/h4-19H,2-3,20-21H2,1H3,(H,32,38)(H,35,37)