2-azanyl-1-(4-butoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(4-butoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-butoxyphenyl)-N-[(1R)-1,5-dimethylhexyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-butoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-butoxyphenyl)-N-[(1R)-1,5-dimethylhexyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C29H37N5O2 MolecularWeight: 487.63638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC(C)CCCC(C)C)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)N[C@H](C)CCCC(C)C)N

InChI

InChI=1S/C29H37N5O2/c1-5-6-18-36-22-16-14-21(15-17-22)34-27(30)25(29(35)31-20(4)11-9-10-19(2)3)26-28(34)33-24-13-8-7-12-23(24)32-26/h7-8,12-17,19-20H,5-6,9-11,18,30H2,1-4H3,(H,31,35)/t20-/m1/s1