5-chloranyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-piperidin-1-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-piperidin-1-yl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(2-oxoazepan-1-yl)propyl]-2-(1-piperidyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-(2-oxo-1-azepanyl)propyl]-2-(1-piperidinyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(2-oxoazepan-1-yl)propyl]-2-piperidin-1-ylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(2-ketoazepan-1-yl)propyl]-2-piperidino-pyrimidine-4-carboxamide Formula: C19H28ClN5O2 MolecularWeight: 393.91092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=NC(=NC=C2Cl)N3CCCCC3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=NC(=NC=C2Cl)N3CCCCC3

InChI

InChI=1S/C19H28ClN5O2/c20-15-14-22-19(25-11-5-2-6-12-25)23-17(15)18(27)21-9-7-13-24-10-4-1-3-8-16(24)26/h14H,1-13H2,(H,21,27)