1-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]-4-methyl-1,4-diazepan-2-one

Systemtic Name: 1-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl]-4-methyl-1,4-diazepan-2-one Openeye Name: 1-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl]-4-methyl-1,4-diazepan-2-one CAS Name: 1-[1-(6-methoxy-3-pyridinyl)-5-phenyl-3-pyrazolyl]-4-methyl-1,4-diazepan-2-one IUPAC Name: 1-[1-(6-methoxypyridin-3-yl)-5-phenylpyrazol-3-yl]-4-methyl-1,4-diazepan-2-one Traditional Name: 1-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl]-4-methyl-1,4-diazepan-2-one Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(C(=O)C1)C2=NN(C(=C2)C3=CC=CC=C3)C4=CN=C(C=C4)OC

Isomeric SMILES

CN1CCCN(C(=O)C1)C2=NN(C(=C2)C3=CC=CC=C3)C4=CN=C(C=C4)OC

InChI

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