[1-(2-cyclohexylethyl)-1,2,3-triazol-4-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [1-(2-cyclohexylethyl)-1,2,3-triazol-4-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [1-(2-cyclohexylethyl)triazol-4-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [1-(2-cyclohexylethyl)-4-triazolyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [1-(2-cyclohexylethyl)triazol-4-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [1-(2-cyclohexylethyl)triazol-4-yl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C20H29N7O MolecularWeight: 383.49056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2C=C(N=N2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(CC1)CCN2C=C(N=N2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H29N7O/c28-19(18-16-27(24-23-18)13-8-17-6-2-1-3-7-17)25-11-5-12-26(15-14-25)20-21-9-4-10-22-20/h4,9-10,16-17H,1-3,5-8,11-15H2