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1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylate

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylate

Systemtic Name:1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylate
Openeye Name:1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]pyrazole-3-carboxylate
CAS Name:1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-pyrazolecarboxylate
IUPAC Name:1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrazole-3-carboxylate
Traditional Name:1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]pyrazole-3-carboxylate
Formula: C16H16N3O3-
MolecularWeight: 298.31654
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCN3C=CC(=N3)C(=O)[O-]


Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCN3C=CC(=N3)C(=O)[O-]


InChI

InChI=1S/C16H17N3O3/c20-15(7-10-19-9-6-14(17-19)16(21)22)18-8-5-12-3-1-2-4-13(12)11-18/h1-4,6,9H,5,7-8,10-11H2,(H,21,22)/p-1


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