(2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H27N5O2/c29-22(27-12-5-13-28(15-14-27)23-24-10-4-11-25-23)18-8-9-19-20(16-18)30-21(26-19)17-6-2-1-3-7-17/h4,8-11,16-17H,1-3,5-7,12-15H2