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

Systemtic Name: 2-azanyl-1-[(E)-(3-chlorophenyl)methylideneamino]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(E)-(3-chlorophenyl)methyleneamino]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(E)-(3-chlorophenyl)methylideneamino]-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(E)-(3-chlorophenyl)methylideneamino]-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[(E)-(3-chlorobenzylidene)amino]-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H27ClN6O MolecularWeight: 462.97448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN6O/c1-2-3-4-5-8-14-28-25(33)21-22-24(31-20-13-7-6-12-19(20)30-22)32(23(21)27)29-16-17-10-9-11-18(26)15-17/h6-7,9-13,15-16H,2-5,8,14,27H2,1H3,(H,28,33)/b29-16+