4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoyl]-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoyl]-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]-6-methoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CC(CN(C(=O)C3)CC4=CN=CC=C4)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CC(CN(C(=O)C3)CC4=CN=CC=C4)OC

InChI

InChI=1S/C25H29N5O3/c1-18-23(19(2)30(27-18)21-9-5-4-6-10-21)12-24(31)29-16-22(33-3)15-28(25(32)17-29)14-20-8-7-11-26-13-20/h4-11,13,22H,12,14-17H2,1-3H3