2-azanyl-N-hexyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-hexyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-hexyl-1-[(E)-(4-isopropylphenyl)methyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-hexyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-hexyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-hexyl-1-[(E)-(4-isopropylbenzylidene)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H32N6O MolecularWeight: 456.58258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC=C(C=C4)C(C)C)N

Isomeric SMILES

CCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)/N=C/C4=CC=C(C=C4)C(C)C)N

InChI

InChI=1S/C27H32N6O/c1-4-5-6-9-16-29-27(34)23-24-26(32-22-11-8-7-10-21(22)31-24)33(25(23)28)30-17-19-12-14-20(15-13-19)18(2)3/h7-8,10-15,17-18H,4-6,9,16,28H2,1-3H3,(H,29,34)/b30-17+