1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-phenyl-azepane

Systemtic Name: 1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-phenyl-azepane Openeye Name: 1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-phenyl-azepane CAS Name: 1-[4-(1,3-dimethyl-4-pyrazolyl)-2-pyrimidinyl]-4-phenylazepane IUPAC Name: 1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-phenylazepane Traditional Name: 1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-phenyl-azepane Formula: C21H25N5 MolecularWeight: 347.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)N3CCCC(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)N3CCCC(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5/c1-16-19(15-25(2)24-16)20-10-12-22-21(23-20)26-13-6-9-18(11-14-26)17-7-4-3-5-8-17/h3-5,7-8,10,12,15,18H,6,9,11,13-14H2,1-2H3