4-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]-6,6-dimethyl-1,4-diazepan-5-one

Systemtic Name: 4-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]-6,6-dimethyl-1,4-diazepan-5-one Openeye Name: 4-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl]-6,6-dimethyl-1,4-diazepan-5-one CAS Name: 4-[1-(6-methoxy-3-pyridinyl)-5-phenyl-3-pyrazolyl]-6,6-dimethyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(6-methoxypyridin-3-yl)-5-phenylpyrazol-3-yl]-6,6-dimethyl-1,4-diazepan-5-one Traditional Name: 4-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl]-6,6-dimethyl-1,4-diazepan-5-one Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCCN(C1=O)C2=NN(C(=C2)C3=CC=CC=C3)C4=CN=C(C=C4)OC)C

Isomeric SMILES

CC1(CNCCN(C1=O)C2=NN(C(=C2)C3=CC=CC=C3)C4=CN=C(C=C4)OC)C

InChI

InChI=1S/C22H25N5O2/c1-22(2)15-23-11-12-26(21(22)28)19-13-18(16-7-5-4-6-8-16)27(25-19)17-9-10-20(29-3)24-14-17/h4-10,13-14,23H,11-12,15H2,1-3H3