1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone Formula: C23H26N4O MolecularWeight: 374.47874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c28-23(16-21-17-24-27(19-21)22-10-5-2-6-11-22)26-13-7-12-25(14-15-26)18-20-8-3-1-4-9-20/h1-6,8-11,17,19H,7,12-16,18H2