2-azanyl-1-(4-butylphenyl)-N-cyclohexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(4-butylphenyl)-N-cyclohexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-butylphenyl)-N-cyclohexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butylphenyl)-N-cyclohexyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-butylphenyl)-N-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-butylphenyl)-N-cyclohexyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5CCCCC5)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5CCCCC5)N

InChI

InChI=1S/C27H31N5O/c1-2-3-9-18-14-16-20(17-15-18)32-25(28)23(27(33)29-19-10-5-4-6-11-19)24-26(32)31-22-13-8-7-12-21(22)30-24/h7-8,12-17,19H,2-6,9-11,28H2,1H3,(H,29,33)