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

Systemtic Name: N-[[3-[3-acetamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]-N-(3-azanylpropyl)pyridine-3-carboxamide Openeye Name: N-[[3-[3-acetamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]-N-(3-aminopropyl)pyridine-3-carboxamide CAS Name: N-[[3-[3-acetamido-4-(4-methyl-1-piperazinyl)phenyl]phenyl]methyl]-N-(3-aminopropyl)-3-pyridinecarboxamide IUPAC Name: N-[[3-[3-acetamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]-N-(3-aminopropyl)pyridine-3-carboxamide Traditional Name: N-[3-[3-acetamido-4-(4-methylpiperazino)phenyl]benzyl]-N-(3-aminopropyl)nicotinamide Formula: C29H36N6O2 MolecularWeight: 500.63514

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C29H36N6O2/c1-22(36)32-27-19-25(9-10-28(27)34-16-14-33(2)15-17-34)24-7-3-6-23(18-24)21-35(13-5-11-30)29(37)26-8-4-12-31-20-26/h3-4,6-10,12,18-20H,5,11,13-17,21,30H2,1-2H3,(H,32,36)