ethyl 2-[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]ethanoate Openeye Name: ethyl 2-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-5-phenyl-3-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-5-phenylpyrazol-3-yl]acetate Traditional Name: 2-[1-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]acetic acid ethyl ester Formula: C29H29N7O2 MolecularWeight: 507.58626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC4=C(C=C3)N(C(=N4)CNC5=CC=C(C=C5)C(=N)N)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC4=C(C=C3)N(C(=N4)CNC5=CC=C(C=C5)C(=N)N)C

InChI

InChI=1S/C29H29N7O2/c1-3-38-28(37)16-22-15-26(19-7-5-4-6-8-19)36(34-22)23-13-14-25-24(17-23)33-27(35(25)2)18-32-21-11-9-20(10-12-21)29(30)31/h4-15,17,32H,3,16,18H2,1-2H3,(H3,30,31)