2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl]ethyl 3-azanyl-1H-indole-2-carboxylate

Systemtic Name: 2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl]ethyl 3-azanyl-1H-indole-2-carboxylate Openeye Name: 2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl]ethyl 3-amino-1H-indole-2-carboxylate CAS Name: 3-amino-1H-indole-2-carboxylic acid 2-[2-[[amino-[(6-phenyl-3-pyridazinyl)imino]methyl]amino]phenyl]ethyl ester IUPAC Name: 2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl]ethyl 3-amino-1H-indole-2-carboxylate Traditional Name: 3-amino-1H-indole-2-carboxylic acid 2-[2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]phenyl]ethyl ester Formula: C28H25N7O2 MolecularWeight: 491.5438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3CCOC(=O)C4=C(C5=CC=CC=C5N4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3CCOC(=O)C4=C(C5=CC=CC=C5N4)N

InChI

InChI=1S/C28H25N7O2/c29-25-20-11-5-7-13-23(20)31-26(25)27(36)37-17-16-19-10-4-6-12-21(19)32-28(30)33-24-15-14-22(34-35-24)18-8-2-1-3-9-18/h1-15,31H,16-17,29H2,(H3,30,32,33,35)