4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C24H28ClN5O2 MolecularWeight: 453.96442

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN5O2/c1-18-22(24(25)28(2)27-18)15-29-13-21(32-17-19-7-4-3-5-8-19)14-30(23(31)16-29)12-20-9-6-10-26-11-20/h3-11,21H,12-17H2,1-2H3