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

Systemtic Name: N-(3-azanylpropyl)-N-[[3-[3-azanyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-(3-aminopropyl)-N-[[3-[3-amino-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]phenyl]methyl]pyridine-3-carboxamide CAS Name: N-(3-aminopropyl)-N-[[3-[3-amino-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-(3-aminopropyl)-N-[[3-[3-amino-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-(3-aminopropyl)-N-[3-[3-amino-4-[4-(2-pyridyl)piperazino]phenyl]benzyl]nicotinamide Formula: C31H35N7O MolecularWeight: 521.6559

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4=CN=CC=C4)N)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4=CN=CC=C4)N)C5=CC=CC=N5

InChI

InChI=1S/C31H35N7O/c32-12-5-15-38(31(39)27-8-4-13-34-22-27)23-24-6-3-7-25(20-24)26-10-11-29(28(33)21-26)36-16-18-37(19-17-36)30-9-1-2-14-35-30/h1-4,6-11,13-14,20-22H,5,12,15-19,23,32-33H2