N-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-3-chloranyl-benzamide

Systemtic Name: N-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-3-chloranyl-benzamide Openeye Name: N-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-3-chloro-benzamide CAS Name: N-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-3-chlorobenzamide IUPAC Name: N-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-3-chlorobenzamide Traditional Name: N-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-3-chloro-benzamide Formula: C18H16ClN3O MolecularWeight: 325.79214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3=C(C1)C=CC=C3NC(=N2)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC2C3=C(C1)C=CC=C3NC(=N2)NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H16ClN3O/c19-13-7-1-6-12(10-13)17(23)22-18-20-14-8-2-4-11-5-3-9-15(21-18)16(11)14/h1-2,4,6-8,10,15H,3,5,9H2,(H2,20,21,22,23)