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

Systemtic Name: 2-azanyl-N-heptyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-heptyl-1-[(E)-(3-methoxyphenyl)methyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-heptyl-1-[(E)-(3-methoxyphenyl)methylideneamino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-heptyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-heptyl-1-[(E)-m-anisylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H30N6O2 MolecularWeight: 458.5554

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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)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O2/c1-3-4-5-6-9-15-28-26(33)22-23-25(31-21-14-8-7-13-20(21)30-23)32(24(22)27)29-17-18-11-10-12-19(16-18)34-2/h7-8,10-14,16-17H,3-6,9,15,27H2,1-2H3,(H,28,33)/b29-17+