azepan-1-yl-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCCC5

InChI

InChI=1S/C22H23N5O3/c1-15-17(21(28)26-10-4-2-3-5-11-26)13-24-27(15)22-23-9-8-18(25-22)16-6-7-19-20(12-16)30-14-29-19/h6-9,12-13H,2-5,10-11,14H2,1H3