[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloranyl-2H-chromen-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloranyl-2H-chromen-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloro-2H-chromen-3-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(6-chloro-2H-1-benzopyran-3-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloro-2H-chromen-3-yl)methanone Traditional Name: (6-chloro-2H-chromen-3-yl)-(4-piperonylpiperazino)methanone Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=CC(=C5)Cl)OC4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=CC(=C5)Cl)OC4

InChI

InChI=1S/C22H21ClN2O4/c23-18-2-4-19-16(11-18)10-17(13-27-19)22(26)25-7-5-24(6-8-25)12-15-1-3-20-21(9-15)29-14-28-20/h1-4,9-11H,5-8,12-14H2