ethyl 2-[1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-2-yl]benzoate

Systemtic Name: ethyl 2-[1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-2-yl]benzoate Openeye Name: ethyl 2-[1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-2-yl]benzoate CAS Name: 2-[1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-2-yl]benzoate Traditional Name: 2-[1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-2-yl]benzoic acid ethyl ester Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2CNCCN2C3=NC4CCCC5=C4C(=CC=C5)N3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2CNCCN2C3=NC4CCCC5=C4C(=CC=C5)N3

InChI

InChI=1S/C24H28N4O2/c1-2-30-23(29)18-10-4-3-9-17(18)21-15-25-13-14-28(21)24-26-19-11-5-7-16-8-6-12-20(27-24)22(16)19/h3-5,7,9-11,20-21,25H,2,6,8,12-15H2,1H3,(H,26,27)