pyridin-3-yl-(4-pyrimidin-5-ylcarbonyl-1,4-diazepan-1-yl)methanone hydrochloride

Systemtic Name: pyridin-3-yl-(4-pyrimidin-5-ylcarbonyl-1,4-diazepan-1-yl)methanone hydrochloride Openeye Name: 3-pyridyl-[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]methanone hydrochloride CAS Name: [4-[oxo(5-pyrimidinyl)methyl]-1,4-diazepan-1-yl]-(3-pyridinyl)methanone hydrochloride IUPAC Name: pyridin-3-yl-[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]methanone hydrochloride Traditional Name: 3-pyridyl-[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]methanone hydrochloride Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=CN=C2)C(=O)C3=CN=CC=C3.Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=CN=C2)C(=O)C3=CN=CC=C3.Cl

InChI

InChI=1S/C16H17N5O2.ClH/c22-15(13-3-1-4-17-9-13)20-5-2-6-21(8-7-20)16(23)14-10-18-12-19-11-14;/h1,3-4,9-12H,2,5-8H2;1H