1-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[2-(1-cyclohexenyl)ethylamino]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-[2-(cyclohexen-1-yl)ethylamino]-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CCN2C=C(C=N2)C(=O)O

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CCN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C15H21N3O3/c19-14(16-8-6-12-4-2-1-3-5-12)7-9-18-11-13(10-17-18)15(20)21/h4,10-11H,1-3,5-9H2,(H,16,19)(H,20,21)