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

Systemtic Name: 1-(4-aminophenyl)-2-azanyl-N-[(2S)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-aminophenyl)-N-[(1S)-1,5-dimethylhexyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-aminophenyl)-N-[(2S)-6-methylheptan-2-yl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-aminophenyl)-N-[(2S)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-aminophenyl)-N-[(1S)-1,5-dimethylhexyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H30N6O MolecularWeight: 430.5453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)N)N

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)N)N

InChI

InChI=1S/C25H30N6O/c1-15(2)7-6-8-16(3)28-25(32)21-22-24(30-20-10-5-4-9-19(20)29-22)31(23(21)27)18-13-11-17(26)12-14-18/h4-5,9-16H,6-8,26-27H2,1-3H3,(H,28,32)/t16-/m0/s1