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

Systemtic Name: 2-azanyl-N-heptyl-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-heptyl-1-(4-isopropylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-heptyl-1-(4-propan-2-ylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-heptyl-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-heptyl-1-p-cumenyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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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)C)N

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O/c1-4-5-6-7-10-17-29-27(33)23-24-26(31-22-12-9-8-11-21(22)30-24)32(25(23)28)20-15-13-19(14-16-20)18(2)3/h8-9,11-16,18H,4-7,10,17,28H2,1-3H3,(H,29,33)