N-[[3-(3-acetamido-4-pyrrolidin-1-yl-phenyl)phenyl]methyl]-N-(3-azanylpropyl)pyridine-3-carboxamide

Systemtic Name: N-[[3-(3-acetamido-4-pyrrolidin-1-yl-phenyl)phenyl]methyl]-N-(3-azanylpropyl)pyridine-3-carboxamide Openeye Name: N-[[3-(3-acetamido-4-pyrrolidin-1-yl-phenyl)phenyl]methyl]-N-(3-aminopropyl)pyridine-3-carboxamide CAS Name: N-[[3-[3-acetamido-4-(1-pyrrolidinyl)phenyl]phenyl]methyl]-N-(3-aminopropyl)-3-pyridinecarboxamide IUPAC Name: N-[[3-(3-acetamido-4-pyrrolidin-1-ylphenyl)phenyl]methyl]-N-(3-aminopropyl)pyridine-3-carboxamide Traditional Name: N-[3-(3-acetamido-4-pyrrolidino-phenyl)benzyl]-N-(3-aminopropyl)nicotinamide Formula: C28H33N5O2 MolecularWeight: 471.59392

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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)N4CCCC4

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN(CCCN)C(=O)C3=CN=CC=C3)N4CCCC4

InChI

InChI=1S/C28H33N5O2/c1-21(34)31-26-18-24(10-11-27(26)32-14-2-3-15-32)23-8-4-7-22(17-23)20-33(16-6-12-29)28(35)25-9-5-13-30-19-25/h4-5,7-11,13,17-19H,2-3,6,12,14-16,20,29H2,1H3,(H,31,34)