1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-phenyl-1,4-diazepane

Systemtic Name: 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-phenyl-1,4-diazepane Openeye Name: 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-phenyl-1,4-diazepane CAS Name: 1-[5-methyl-4-(1-methyl-4-pyrazolyl)-2-pyrimidinyl]-4-phenyl-1,4-diazepane IUPAC Name: 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-phenyl-1,4-diazepane Traditional Name: 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-phenyl-1,4-diazepane Formula: C20H24N6 MolecularWeight: 348.44476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CN(N=C2)C)N3CCCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2=CN(N=C2)C)N3CCCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N6/c1-16-13-21-20(23-19(16)17-14-22-24(2)15-17)26-10-6-9-25(11-12-26)18-7-4-3-5-8-18/h3-5,7-8,13-15H,6,9-12H2,1-2H3