[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(1-piperidyl)-4-isoquinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(1-piperidinyl)-4-isoquinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone Traditional Name: (1-piperidino-4-isoquinolyl)-(4-piperonylpiperazino)methanone Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H30N4O3/c32-27(23-17-28-26(30-10-4-1-5-11-30)22-7-3-2-6-21(22)23)31-14-12-29(13-15-31)18-20-8-9-24-25(16-20)34-19-33-24/h2-3,6-9,16-17H,1,4-5,10-15,18-19H2