4-[4-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperazin-1-yl]benzamide

Systemtic Name: 4-[4-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperazin-1-yl]benzamide Openeye Name: 4-[4-(isochroman-1-ylmethyl)piperazin-1-yl]benzamide CAS Name: 4-[4-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-1-piperazinyl]benzamide IUPAC Name: 4-[4-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperazin-1-yl]benzamide Traditional Name: 4-[4-(isochroman-1-ylmethyl)piperazino]benzamide Formula: C21H25N3O2 MolecularWeight: 351.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1COC(C2=CC=CC=C21)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H25N3O2/c22-21(25)17-5-7-18(8-6-17)24-12-10-23(11-13-24)15-20-19-4-2-1-3-16(19)9-14-26-20/h1-8,20H,9-15H2,(H2,22,25)