N-[2-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylamino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylamino]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylamino]-2-oxo-ethyl]benzamide CAS Name: N-[2-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethylamino]-2-oxoethyl]benzamide IUPAC Name: N-[2-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylamino]-2-oxoethyl]benzamide Traditional Name: N-[2-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylamino]-2-keto-ethyl]benzamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3/c27-19(15-23-21(28)17-8-4-3-5-9-17)22-10-13-29-20-14-18(24-16-25-20)26-11-6-1-2-7-12-26/h3-5,8-9,14,16H,1-2,6-7,10-13,15H2,(H,22,27)(H,23,28)