1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-pyrimidin-2-yl-1,4-diazepane

Systemtic Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-(2-pyrimidyl)-1,4-diazepane Formula: C24H29N7 MolecularWeight: 415.53396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=CN=NC(=N3)N4CCCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=CN=NC(=N3)N4CCCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H29N7/c1-2-6-19(7-3-1)20-8-10-21(11-9-20)22-18-27-29-24(28-22)31-15-5-14-30(16-17-31)23-25-12-4-13-26-23/h4,8-13,18-19H,1-3,5-7,14-17H2