N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzamide CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[[4-(2-pyridyl)piperazino]methyl]benzamide Formula: C27H27N5OS MolecularWeight: 469.60118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=CS4)N)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=CS4)N)C5=CC=CC=N5

InChI

InChI=1S/C27H27N5OS/c28-23-11-10-22(25-4-3-17-34-25)18-24(23)30-27(33)21-8-6-20(7-9-21)19-31-13-15-32(16-14-31)26-5-1-2-12-29-26/h1-12,17-18H,13-16,19,28H2,(H,30,33)