2-azanyl-1-(3-butoxyphenyl)-N-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(3-butoxyphenyl)-N-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3-butoxyphenyl)-N-isobutyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3-butoxyphenyl)-N-(2-methylpropyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3-butoxyphenyl)-N-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3-butoxyphenyl)-N-isobutyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC(C)C)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC(C)C)N

InChI

InChI=1S/C25H29N5O2/c1-4-5-13-32-18-10-8-9-17(14-18)30-23(26)21(25(31)27-15-16(2)3)22-24(30)29-20-12-7-6-11-19(20)28-22/h6-12,14,16H,4-5,13,15,26H2,1-3H3,(H,27,31)