1-(furan-2-ylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane

Systemtic Name: 1-(furan-2-ylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane Openeye Name: 1-(2-furylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane CAS Name: 1-(2-furanylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane IUPAC Name: 1-(furan-2-ylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane Traditional Name: 1-(2-furfuryl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane Formula: C20H24N4O MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=C(NN=C2)C3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

C1CN(CCN(C1)CC2=C(NN=C2)C3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C20H24N4O/c1-2-6-17(7-3-1)20-18(14-21-22-20)15-23-9-5-10-24(12-11-23)16-19-8-4-13-25-19/h1-4,6-8,13-14H,5,9-12,15-16H2,(H,21,22)