4-[[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]phenyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]thio]methyl]benzonitrile Formula: C27H31N3O2S MolecularWeight: 461.61894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H31N3O2S/c28-19-21-9-11-22(12-10-21)20-33-25-8-4-3-7-24(25)27(32)30-17-13-23(14-18-30)26(31)29-15-5-1-2-6-16-29/h3-4,7-12,23H,1-2,5-6,13-18,20H2