2-[3-[[4-(diethylamino)phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[4-(diethylamino)phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[4-(diethylamino)anilino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-(diethylamino)anilino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-(diethylamino)anilino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[4-(diethylamino)anilino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H22N4O3 MolecularWeight: 330.38158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C17H22N4O3/c1-3-20(4-2)14-7-5-13(6-8-14)19-16(22)10-12-21-15(17(23)24)9-11-18-21/h5-9,11H,3-4,10,12H2,1-2H3,(H,19,22)(H,23,24)