2-azanyl-1-(4-butylphenyl)-N-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(4-butylphenyl)-N-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-benzyl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butylphenyl)-N-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-benzyl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-benzyl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CC=C5)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CC=C5)N

InChI

InChI=1S/C28H27N5O/c1-2-3-9-19-14-16-21(17-15-19)33-26(29)24(28(34)30-18-20-10-5-4-6-11-20)25-27(33)32-23-13-8-7-12-22(23)31-25/h4-8,10-17H,2-3,9,18,29H2,1H3,(H,30,34)