4-[4-[1-(3-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-oxazepane

Systemtic Name: 4-[4-[1-(3-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-oxazepane Openeye Name: 4-[4-[1-(3-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-oxazepane CAS Name: 4-[4-[1-(3-methoxyphenyl)-4-pyrazolyl]-2-pyrimidinyl]-1,4-oxazepane IUPAC Name: 4-[4-[1-(3-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-oxazepane Traditional Name: 4-[4-[1-(3-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-oxazepane Formula: C19H21N5O2 MolecularWeight: 351.40234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=C(C=N2)C3=NC(=NC=C3)N4CCCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=C(C=N2)C3=NC(=NC=C3)N4CCCOCC4

InChI

InChI=1S/C19H21N5O2/c1-25-17-5-2-4-16(12-17)24-14-15(13-21-24)18-6-7-20-19(22-18)23-8-3-10-26-11-9-23/h2,4-7,12-14H,3,8-11H2,1H3