[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2=CC(=NN2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1OCC2=CC(=NN2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O3/c1-29-18-6-2-3-7-19(18)30-15-16-14-17(25-24-16)20(28)26-10-5-11-27(13-12-26)21-22-8-4-9-23-21/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,25)