N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-2-(1-oxo-2-isoquinolyl)acetamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-2-(1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide Traditional Name: 2-(1-keto-2-isoquinolyl)-N-[3-keto-3-(4-piperonylpiperazino)propyl]acetamide Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)CN4C=CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)CN4C=CC5=CC=CC=C5C4=O

InChI

InChI=1S/C26H28N4O5/c31-24(17-30-10-8-20-3-1-2-4-21(20)26(30)33)27-9-7-25(32)29-13-11-28(12-14-29)16-19-5-6-22-23(15-19)35-18-34-22/h1-6,8,10,15H,7,9,11-14,16-18H2,(H,27,31)