N-[5-[3-[[(4-azanylcyclohexyl)-thiophen-2-ylcarbonyl-amino]methyl]phenyl]-2-(azepan-1-yl)phenyl]-6-chloranyl-pyridine-3-carboxamide

Systemtic Name: N-[5-[3-[[(4-azanylcyclohexyl)-thiophen-2-ylcarbonyl-amino]methyl]phenyl]-2-(azepan-1-yl)phenyl]-6-chloranyl-pyridine-3-carboxamide Openeye Name: N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-(azepan-1-yl)phenyl]-6-chloro-pyridine-3-carboxamide CAS Name: N-[5-[3-[[(4-aminocyclohexyl)-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl]-2-(1-azepanyl)phenyl]-6-chloro-3-pyridinecarboxamide IUPAC Name: N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-(azepan-1-yl)phenyl]-6-chloropyridine-3-carboxamide Traditional Name: N-[5-[3-[[(4-aminocyclohexyl)-(2-thenoyl)amino]methyl]phenyl]-2-(azepan-1-yl)phenyl]-6-chloro-nicotinamide Formula: C36H40ClN5O2S MolecularWeight: 642.2531

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5=CC=CS5)NC(=O)C6=CN=C(C=C6)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5=CC=CS5)NC(=O)C6=CN=C(C=C6)Cl

InChI

InChI=1S/C36H40ClN5O2S/c37-34-17-11-28(23-39-34)35(43)40-31-22-27(10-16-32(31)41-18-3-1-2-4-19-41)26-8-5-7-25(21-26)24-42(30-14-12-29(38)13-15-30)36(44)33-9-6-20-45-33/h5-11,16-17,20-23,29-30H,1-4,12-15,18-19,24,38H2,(H,40,43)