N-(1-adamantylmethyl)-2-chloranyl-5-[2-[2-(hydroxymethyl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[2-[2-(hydroxymethyl)piperazin-1-yl]ethyl]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[2-[2-(hydroxymethyl)piperazin-1-yl]ethyl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[2-[2-(hydroxymethyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[2-[2-(hydroxymethyl)piperazin-1-yl]ethyl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[2-(2-methylolpiperazino)ethyl]benzamide Formula: C25H36ClN3O2 MolecularWeight: 446.02524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CO)CCC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(C(CN1)CO)CCC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36ClN3O2/c26-23-2-1-17(3-5-29-6-4-27-14-21(29)15-30)10-22(23)24(31)28-16-25-11-18-7-19(12-25)9-20(8-18)13-25/h1-2,10,18-21,27,30H,3-9,11-16H2,(H,28,31)