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

Systemtic Name: 3-[2-azaniumyl-3-[(4-chlorophenyl)methylcarbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Openeye Name: 3-[2-azaniumyl-3-[(4-chlorophenyl)methylcarbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]phenolate CAS Name: 3-[2-ammonio-3-[[(4-chlorophenyl)methylamino]-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]phenolate IUPAC Name: 3-[2-azaniumyl-3-[(4-chlorophenyl)methylcarbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Traditional Name: 3-[2-ammonio-3-[(4-chlorobenzyl)carbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]phenolate Formula: C24H18ClN5O2 MolecularWeight: 443.88502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC(=CC=C4)[O-])[NH3+])C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC(=CC=C4)[O-])[NH3+])C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H18ClN5O2/c25-15-10-8-14(9-11-15)13-27-24(32)20-21-23(29-19-7-2-1-6-18(19)28-21)30(22(20)26)16-4-3-5-17(31)12-16/h1-12,31H,13,26H2,(H,27,32)