1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(1,3,5-trimethyl-4-pyrazolyl)ethanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Formula: C20H28N4O MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O/c1-16-19(17(2)22(3)21-16)14-20(25)24-11-7-10-23(12-13-24)15-18-8-5-4-6-9-18/h4-6,8-9H,7,10-15H2,1-3H3