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

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-methoxy-benzamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-methoxy-benzamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-4-methoxybenzamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-methoxybenzamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-4-methoxy-benzamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O4/c1-32-23-10-7-20(8-11-23)27(31)28-18-24(21-9-12-25-26(17-21)34-19-33-25)30-15-13-29(14-16-30)22-5-3-2-4-6-22/h2-12,17,24H,13-16,18-19H2,1H3,(H,28,31)/t24-/m0/s1