N-[3-(piperazin-1-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide

Systemtic Name: N-[3-(piperazin-1-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide Openeye Name: N-[3-(piperazin-1-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide CAS Name: N-[3-(1-piperazinylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide IUPAC Name: N-[3-(piperazin-1-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide Traditional Name: N-[3-(piperazinomethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2CN3CCNCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2CN3CCNCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3OS/c25-20(16-7-3-1-4-8-16)23-21-18(15-24-13-11-22-12-14-24)17-9-5-2-6-10-19(17)26-21/h1,3-4,7-8,22H,2,5-6,9-15H2,(H,23,25)