3-(azepan-1-ylcarbonyl)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide Openeye Name: 3-(azepane-1-carbonyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(p-tolyl)benzamide CAS Name: 3-[1-azepanyl(oxo)methyl]-5-(4-methylphenyl)-N-[(2-methyl-5-pyrimidinyl)methyl]benzamide IUPAC Name: 3-(azepane-1-carbonyl)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide Traditional Name: 3-(azepane-1-carbonyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(p-tolyl)benzamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC(=C2)C(=O)NCC3=CN=C(N=C3)C)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CC(=C2)C(=O)NCC3=CN=C(N=C3)C)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H30N4O2/c1-19-7-9-22(10-8-19)23-13-24(26(32)30-18-21-16-28-20(2)29-17-21)15-25(14-23)27(33)31-11-5-3-4-6-12-31/h7-10,13-17H,3-6,11-12,18H2,1-2H3,(H,30,32)