2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[(4-piperonylpiperazino)methyl]-1H-quinazolin-4-one Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C21H21ClN4O3/c22-15-2-3-16-17(10-15)23-20(24-21(16)27)12-26-7-5-25(6-8-26)11-14-1-4-18-19(9-14)29-13-28-18/h1-4,9-10H,5-8,11-13H2,(H,23,24,27)