5-methoxy-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-methoxy-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-methoxy-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

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