[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[5-(2-furyl)-1H-pyrazol-3-yl]methanone CAS Name: [5-(2-furanyl)-1H-pyrazol-3-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[5-(2-furyl)-1H-pyrazol-3-yl]methanone Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NNC(=C2)C3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NNC(=C2)C3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2/c25-20(18-14-17(21-22-18)19-8-4-13-26-19)24-10-5-9-23(11-12-24)15-16-6-2-1-3-7-16/h1-4,6-8,13-14H,5,9-12,15H2,(H,21,22)