1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyrazol-1-yl-propan-1-one

Systemtic Name: 1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyrazol-1-yl-propan-1-one Openeye Name: 3-pyrazol-1-yl-1-[4-(tetrahydrofuran-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-(2-oxolanylmethyl)-1,4-diazepan-1-yl]-3-(1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-1-one Traditional Name: 3-pyrazol-1-yl-1-[4-(tetrahydrofurfuryl)-1,4-diazepan-1-yl]propan-1-one Formula: C16H26N4O2 MolecularWeight: 306.40324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCCN(CC2)C(=O)CCN3C=CC=N3

Isomeric SMILES

C1CC(OC1)CN2CCCN(CC2)C(=O)CCN3C=CC=N3

InChI

InChI=1S/C16H26N4O2/c21-16(5-10-20-9-2-6-17-20)19-8-3-7-18(11-12-19)14-15-4-1-13-22-15/h2,6,9,15H,1,3-5,7-8,10-14H2