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

Systemtic Name: 4-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]-1-methyl-1,4-diazepan-5-one Openeye Name: 4-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl]-1-methyl-1,4-diazepan-5-one CAS Name: 4-[1-(6-methoxy-3-pyridinyl)-5-phenyl-3-pyrazolyl]-1-methyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(6-methoxypyridin-3-yl)-5-phenylpyrazol-3-yl]-1-methyl-1,4-diazepan-5-one Traditional Name: 4-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl]-1-methyl-1,4-diazepan-5-one Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=O)N(CC1)C2=NN(C(=C2)C3=CC=CC=C3)C4=CN=C(C=C4)OC

Isomeric SMILES

CN1CCC(=O)N(CC1)C2=NN(C(=C2)C3=CC=CC=C3)C4=CN=C(C=C4)OC

InChI

InChI=1S/C21H23N5O2/c1-24-11-10-21(27)25(13-12-24)19-14-18(16-6-4-3-5-7-16)26(23-19)17-8-9-20(28-2)22-15-17/h3-9,14-15H,10-13H2,1-2H3