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1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylate

1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylate

Systemtic Name:1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylate
Openeye Name:1-[3-(azepan-1-yl)-3-oxo-propyl]pyrazole-3-carboxylate
CAS Name:1-[3-(1-azepanyl)-3-oxopropyl]-3-pyrazolecarboxylate
IUPAC Name:1-[3-(azepan-1-yl)-3-oxopropyl]pyrazole-3-carboxylate
Traditional Name:1-[3-(azepan-1-yl)-3-keto-propyl]pyrazole-3-carboxylate
Formula: C13H18N3O3-
MolecularWeight: 264.30032
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C=CC(=N2)C(=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C=CC(=N2)C(=O)[O-]


InChI

InChI=1S/C13H19N3O3/c17-12(15-7-3-1-2-4-8-15)6-10-16-9-5-11(14-16)13(18)19/h5,9H,1-4,6-8,10H2,(H,18,19)/p-1


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