N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(phenylmethyl)isoquinoline-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(phenylmethyl)isoquinoline-1-carboxamide Openeye Name: N-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)isoquinoline-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(phenylmethyl)-1-isoquinolinecarboxamide IUPAC Name: N-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)isoquinoline-1-carboxamide Traditional Name: N-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)isoquinoline-1-carboxamide Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CN(CC3=CC=CC=C3)C(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CN(CC3=CC=CC=C3)C(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C26H22N2O3/c29-26(25-22-9-5-4-8-21(22)12-13-27-25)28(17-19-6-2-1-3-7-19)18-20-10-11-23-24(16-20)31-15-14-30-23/h1-13,16H,14-15,17-18H2