(4S)-1-[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]-4-phenyl-azepane

Systemtic Name: (4S)-1-[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]-4-phenyl-azepane Openeye Name: (4S)-1-[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]-4-phenyl-azepane CAS Name: (4S)-1-[4-(2-methyl-1,2,4-triazol-3-yl)-2-pyrimidinyl]-4-phenylazepane IUPAC Name: (4S)-1-[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]-4-phenylazepane Traditional Name: (4S)-1-[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]-4-phenyl-azepane Formula: C19H22N6 MolecularWeight: 334.41818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)C2=NC(=NC=C2)N3CCCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NC=N1)C2=NC(=NC=C2)N3CCC[C@@H](CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H22N6/c1-24-18(21-14-22-24)17-9-11-20-19(23-17)25-12-5-8-16(10-13-25)15-6-3-2-4-7-15/h2-4,6-7,9,11,14,16H,5,8,10,12-13H2,1H3/t16-/m0/s1