2-[5-azanyl-4-(1,3-diethyl-2-oxidanylidene-benzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-azanyl-4-(1,3-diethyl-2-oxidanylidene-benzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[5-amino-4-(1,3-diethyl-2-oxo-benzimidazol-5-yl)-3-(m-tolyl)pyrazol-1-yl]acetic acid CAS Name: 2-[5-amino-4-(1,3-diethyl-2-oxo-5-benzimidazolyl)-3-(3-methylphenyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[5-amino-4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[5-amino-4-(1,3-diethyl-2-keto-benzimidazol-5-yl)-3-(m-tolyl)pyrazol-1-yl]acetic acid Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(N(N=C3C4=CC(=CC=C4)C)CC(=O)O)N)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(N(N=C3C4=CC(=CC=C4)C)CC(=O)O)N)N(C1=O)CC

InChI

InChI=1S/C23H25N5O3/c1-4-26-17-10-9-15(12-18(17)27(5-2)23(26)31)20-21(16-8-6-7-14(3)11-16)25-28(22(20)24)13-19(29)30/h6-12H,4-5,13,24H2,1-3H3,(H,29,30)