azepan-1-yl-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[5-cyclopropyl-1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CCCCCC4)C5CC5

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CCCCCC4)C5CC5

InChI

InChI=1S/C24H27N5O2/c1-31-21-9-5-4-8-18(21)20-12-13-25-24(27-20)29-22(17-10-11-17)19(16-26-29)23(30)28-14-6-2-3-7-15-28/h4-5,8-9,12-13,16-17H,2-3,6-7,10-11,14-15H2,1H3