3-[2-azaniumyl-3-[(4-methylphenyl)methylcarbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]phenolate

Systemtic Name: 3-[2-azaniumyl-3-[(4-methylphenyl)methylcarbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Openeye Name: 3-[2-azaniumyl-3-(p-tolylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate CAS Name: 3-[2-ammonio-3-[[(4-methylphenyl)methylamino]-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]phenolate IUPAC Name: 3-[2-azaniumyl-3-[(4-methylphenyl)methylcarbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Traditional Name: 3-[2-ammonio-3-[(4-methylbenzyl)carbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Formula: C25H21N5O2 MolecularWeight: 423.46654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=CC=C5)[O-])[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=CC=C5)[O-])[NH3+]

InChI

InChI=1S/C25H21N5O2/c1-15-9-11-16(12-10-15)14-27-25(32)21-22-24(29-20-8-3-2-7-19(20)28-22)30(23(21)26)17-5-4-6-18(31)13-17/h2-13,31H,14,26H2,1H3,(H,27,32)