2-[3-[bis(phenylmethyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[bis(phenylmethyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(dibenzylamino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[bis(phenylmethyl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(dibenzylamino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(dibenzylamino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C21H21N3O3/c25-20(12-14-24-19(21(26)27)11-13-22-24)23(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-11,13H,12,14-16H2,(H,26,27)