N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-chloranyl-benzamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-chloranyl-benzamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-chloro-benzamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-3-chlorobenzamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-chlorobenzamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-3-chloro-benzamide Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C3=CC(=CC=C3)Cl)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)[C@@H](CNC(=O)C3=CC(=CC=C3)Cl)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26ClN3O3/c27-21-6-4-5-20(15-21)26(31)28-17-23(19-9-10-24-25(16-19)33-18-32-24)30-13-11-29(12-14-30)22-7-2-1-3-8-22/h1-10,15-16,23H,11-14,17-18H2,(H,28,31)/t23-/m0/s1