N-[[3-[3-acetamido-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]-N-(3-azanylpropyl)pyridine-3-carboxamide

Systemtic Name: N-[[3-[3-acetamido-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]-N-(3-azanylpropyl)pyridine-3-carboxamide Openeye Name: N-[[3-[3-acetamido-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]phenyl]methyl]-N-(3-aminopropyl)pyridine-3-carboxamide CAS Name: N-[[3-[3-acetamido-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]phenyl]methyl]-N-(3-aminopropyl)-3-pyridinecarboxamide IUPAC Name: N-[[3-[3-acetamido-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]-N-(3-aminopropyl)pyridine-3-carboxamide Traditional Name: N-[3-[3-acetamido-4-[4-(2-pyridyl)piperazino]phenyl]benzyl]-N-(3-aminopropyl)nicotinamide Formula: C33H37N7O2 MolecularWeight: 563.69258

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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)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN(CCCN)C(=O)C3=CN=CC=C3)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C33H37N7O2/c1-25(41)37-30-22-28(11-12-31(30)38-17-19-39(20-18-38)32-10-2-3-15-36-32)27-8-4-7-26(21-27)24-40(16-6-13-34)33(42)29-9-5-14-35-23-29/h2-5,7-12,14-15,21-23H,6,13,16-20,24,34H2,1H3,(H,37,41)