N-[[3-(3-acetamido-4-morpholin-4-yl-phenyl)phenyl]methyl]-N-(3-azanylpropyl)pyridine-3-carboxamide

Systemtic Name: N-[[3-(3-acetamido-4-morpholin-4-yl-phenyl)phenyl]methyl]-N-(3-azanylpropyl)pyridine-3-carboxamide Openeye Name: N-[[3-(3-acetamido-4-morpholino-phenyl)phenyl]methyl]-N-(3-aminopropyl)pyridine-3-carboxamide CAS Name: N-[[3-[3-acetamido-4-(4-morpholinyl)phenyl]phenyl]methyl]-N-(3-aminopropyl)-3-pyridinecarboxamide IUPAC Name: N-[[3-(3-acetamido-4-morpholin-4-ylphenyl)phenyl]methyl]-N-(3-aminopropyl)pyridine-3-carboxamide Traditional Name: N-[3-(3-acetamido-4-morpholino-phenyl)benzyl]-N-(3-aminopropyl)nicotinamide Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN(CCCN)C(=O)C3=CN=CC=C3)N4CCOCC4

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN(CCCN)C(=O)C3=CN=CC=C3)N4CCOCC4

InChI

InChI=1S/C28H33N5O3/c1-21(34)31-26-18-24(8-9-27(26)32-13-15-36-16-14-32)23-6-2-5-22(17-23)20-33(12-4-10-29)28(35)25-7-3-11-30-19-25/h2-3,5-9,11,17-19H,4,10,12-16,20,29H2,1H3,(H,31,34)