butyl 1-cyclohexyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: butyl 1-cyclohexyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: butyl 1-cyclohexyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 1-cyclohexyl-2-[(1-oxo-3-phenylprop-2-enyl)amino]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid butyl ester IUPAC Name: butyl 1-cyclohexyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-cinnamamido-1-cyclohexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid butyl ester Formula: C30H32N4O3 MolecularWeight: 496.60008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4CCCCC4)NC(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4CCCCC4)NC(=O)C=CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O3/c1-2-3-20-37-30(36)26-27-29(32-24-17-11-10-16-23(24)31-27)34(22-14-8-5-9-15-22)28(26)33-25(35)19-18-21-12-6-4-7-13-21/h4,6-7,10-13,16-19,22H,2-3,5,8-9,14-15,20H2,1H3,(H,33,35)