2-azanyl-1-(3,5-dimethylphenyl)-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(3,5-dimethylphenyl)-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3,5-dimethylphenyl)-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3,5-dimethylphenyl)-N-(3-phenylpropyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3,5-dimethylphenyl)-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3,5-dimethylphenyl)-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCCC5=CC=CC=C5)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCCC5=CC=CC=C5)N)C

InChI

InChI=1S/C28H27N5O/c1-18-15-19(2)17-21(16-18)33-26(29)24(25-27(33)32-23-13-7-6-12-22(23)31-25)28(34)30-14-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,15-17H,8,11,14,29H2,1-2H3,(H,30,34)