N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(2-pyridyl)piperazin-1-yl]propanamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(2-pyridinyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(2-pyridyl)piperazino]propionamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H27N5OS/c1-16(26-11-13-27(14-12-26)20-9-5-6-10-24-20)21(28)25-22-18(15-23)17-7-3-2-4-8-19(17)29-22/h5-6,9-10,16H,2-4,7-8,11-14H2,1H3,(H,25,28)