2-[3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[1-(2-diethylaminoethyl)-2-benzimidazolyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C20H26N6O3/c1-3-24(4-2)13-14-25-16-8-6-5-7-15(16)22-20(25)23-18(27)10-12-26-17(19(28)29)9-11-21-26/h5-9,11H,3-4,10,12-14H2,1-2H3,(H,28,29)(H,22,23,27)