4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N5O2/c1-19-22(13-27(2)26-19)14-28-15-23(31-18-20-7-4-3-5-8-20)16-29(24(30)17-28)12-21-9-6-10-25-11-21/h3-11,13,23H,12,14-18H2,1-2H3