azepan-1-yl-[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[5-(methoxymethyl)-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[5-(methoxymethyl)-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[5-(methoxymethyl)-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CCCCCC4

Isomeric SMILES

COCC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CCCCCC4

InChI

InChI=1S/C20H23N5O2S/c1-27-14-17-15(19(26)24-10-4-2-3-5-11-24)13-22-25(17)20-21-9-8-16(23-20)18-7-6-12-28-18/h6-9,12-13H,2-5,10-11,14H2,1H3