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

Systemtic Name: 2-[3-[[4-(2-diethylaminoethyloxycarbonyl)phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[4-(2-diethylaminoethyloxycarbonyl)anilino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-[2-diethylaminoethyloxy(oxo)methyl]anilino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-(2-diethylaminoethyloxycarbonyl)anilino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[4-(2-diethylaminoethyloxycarbonyl)anilino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5/c1-3-23(4-2)13-14-29-20(28)15-5-7-16(8-6-15)22-18(25)10-12-24-17(19(26)27)9-11-21-24/h5-9,11H,3-4,10,12-14H2,1-2H3,(H,22,25)(H,26,27)