3-[2-azaniumyl-3-(cyclopentylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate

Systemtic Name: 3-[2-azaniumyl-3-(cyclopentylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Openeye Name: 3-[2-azaniumyl-3-(cyclopentylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate CAS Name: 3-[2-ammonio-3-[(cyclopentylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]phenolate IUPAC Name: 3-[2-azaniumyl-3-(cyclopentylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Traditional Name: 3-[2-ammonio-3-(cyclopentylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=CC=C5)[O-])[NH3+]

Isomeric SMILES

C1CCC(C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=CC=C5)[O-])[NH3+]

InChI

InChI=1S/C22H21N5O2/c23-20-18(22(29)24-13-6-1-2-7-13)19-21(26-17-11-4-3-10-16(17)25-19)27(20)14-8-5-9-15(28)12-14/h3-5,8-13,28H,1-2,6-7,23H2,(H,24,29)