3-(methylamino)-7-phenyl-1-(pyrimidin-4-ylmethyl)azepan-2-one

Systemtic Name: 3-(methylamino)-7-phenyl-1-(pyrimidin-4-ylmethyl)azepan-2-one Openeye Name: 3-(methylamino)-7-phenyl-1-(pyrimidin-4-ylmethyl)azepan-2-one CAS Name: 3-(methylamino)-7-phenyl-1-(4-pyrimidinylmethyl)-2-azepanone IUPAC Name: 3-(methylamino)-7-phenyl-1-(pyrimidin-4-ylmethyl)azepan-2-one Traditional Name: 3-(methylamino)-7-phenyl-1-(4-pyrimidylmethyl)azepan-2-one Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCCC(N(C1=O)CC2=NC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

CNC1CCCC(N(C1=O)CC2=NC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O/c1-19-16-8-5-9-17(14-6-3-2-4-7-14)22(18(16)23)12-15-10-11-20-13-21-15/h2-4,6-7,10-11,13,16-17,19H,5,8-9,12H2,1H3