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

Systemtic Name: 2-azanyl-N-heptyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-heptyl-1-[(E)-(4-isopropylphenyl)methyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-heptyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-heptyl-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-heptyl-1-[(E)-(4-isopropylbenzylidene)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C28H34N6O MolecularWeight: 470.60916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N6O/c1-4-5-6-7-10-17-30-28(35)24-25-27(33-23-12-9-8-11-22(23)32-25)34(26(24)29)31-18-20-13-15-21(16-14-20)19(2)3/h8-9,11-16,18-19H,4-7,10,17,29H2,1-3H3,(H,30,35)/b31-18+