[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-[(4-chloropyrazol-1-yl)methyl]-2-furyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[5-[(4-chloro-1-pyrazolyl)methyl]-2-furanyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]methanone Traditional Name: [5-[(4-chloropyrazol-1-yl)methyl]-2-furyl]-(4-piperonylpiperazino)methanone Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)CN5C=C(C=N5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)CN5C=C(C=N5)Cl

InChI

InChI=1S/C21H21ClN4O4/c22-16-10-23-26(12-16)13-17-2-4-19(30-17)21(27)25-7-5-24(6-8-25)11-15-1-3-18-20(9-15)29-14-28-18/h1-4,9-10,12H,5-8,11,13-14H2