N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-phenyl-benzamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-phenyl-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-phenyl-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-4-phenylbenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-phenylbenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-phenyl-benzamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c30-25(22-12-10-21(11-13-22)20-8-4-3-5-9-20)26-14-17-31-24-18-23(27-19-28-24)29-15-6-1-2-7-16-29/h3-5,8-13,18-19H,1-2,6-7,14-17H2,(H,26,30)