2-azanyl-1-butyl-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-butyl-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-butyl-N-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-butyl-N-[(4-methylphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-butyl-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-butyl-N-(4-methylbenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)C)N

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)C)N

InChI

InChI=1S/C23H25N5O/c1-3-4-13-28-21(24)19(23(29)25-14-16-11-9-15(2)10-12-16)20-22(28)27-18-8-6-5-7-17(18)26-20/h5-12H,3-4,13-14,24H2,1-2H3,(H,25,29)