N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C18H28N6O2 MolecularWeight: 360.45392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H28N6O2/c25-16-6-2-1-3-10-22(16)11-5-9-21-18(26)24-14-12-23(13-15-24)17-19-7-4-8-20-17/h4,7-8H,1-3,5-6,9-15H2,(H,21,26)