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

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(2-pyrazinyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-pyrazin-2-ylpiperazino)propionamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCN3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCN3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C21H26N6OS/c22-14-17-16-4-2-1-3-5-18(16)29-21(17)25-20(28)6-9-26-10-12-27(13-11-26)19-15-23-7-8-24-19/h7-8,15H,1-6,9-13H2,(H,25,28)