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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methylphenyl)carbonyl-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methylbenzoyl)benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-[(4-methylphenyl)-oxomethyl]benzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methylbenzoyl)benzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-p-toluoyl-benzamide Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCCOC3=NC=NC(=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCCOC3=NC=NC(=C3)N4CCCCCC4

InChI

InChI=1S/C27H30N4O3/c1-20-10-12-21(13-11-20)26(32)22-8-4-5-9-23(22)27(33)28-14-17-34-25-18-24(29-19-30-25)31-15-6-2-3-7-16-31/h4-5,8-13,18-19H,2-3,6-7,14-17H2,1H3,(H,28,33)