N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-isoquinoline-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-isoquinoline-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-isoquinoline-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylisoquinoline-1-carboxamide Traditional Name: N-cyclopropyl-N-piperonyl-isoquinoline-1-carboxamide Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CC1N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C21H18N2O3/c24-21(20-17-4-2-1-3-15(17)9-10-22-20)23(16-6-7-16)12-14-5-8-18-19(11-14)26-13-25-18/h1-5,8-11,16H,6-7,12-13H2