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

Systemtic Name: 2-azanyl-1-(4-butan-2-ylphenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-heptyl-1-(4-sec-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butan-2-ylphenyl)-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-butan-2-ylphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-heptyl-1-(4-sec-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N5O/c1-4-6-7-8-11-18-30-28(34)24-25-27(32-23-13-10-9-12-22(23)31-25)33(26(24)29)21-16-14-20(15-17-21)19(3)5-2/h9-10,12-17,19H,4-8,11,18,29H2,1-3H3,(H,30,34)