N-(1,3-benzodioxol-5-ylmethyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: 1-piperidino-N-piperonyl-isoquinoline-4-carboxamide Formula: C23H23N3O3 MolecularWeight: 389.44702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O3/c27-23(25-13-16-8-9-20-21(12-16)29-15-28-20)19-14-24-22(26-10-4-1-5-11-26)18-7-3-2-6-17(18)19/h2-3,6-9,12,14H,1,4-5,10-11,13,15H2,(H,25,27)