N,N-dimethyl-2-[4-[3-(pyrimidin-2-ylamino)phenyl]carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[3-(pyrimidin-2-ylamino)phenyl]carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-[3-(pyrimidin-2-ylamino)benzoyl]-1,4-diazepan-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[3-(pyrimidin-2-ylamino)benzoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-[3-(2-pyrimidylamino)benzoyl]-1,4-diazepan-1-yl]acetamide Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C20H26N6O2/c1-24(2)18(27)15-25-10-5-11-26(13-12-25)19(28)16-6-3-7-17(14-16)23-20-21-8-4-9-22-20/h3-4,6-9,14H,5,10-13,15H2,1-2H3,(H,21,22,23)