4-azanyl-N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-chloranyl-2-methoxy-benzamide

Systemtic Name: 4-azanyl-N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-chloranyl-2-methoxy-benzamide Openeye Name: 4-amino-N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-chloro-2-methoxy-benzamide CAS Name: 4-amino-N-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-chloro-2-methoxybenzamide IUPAC Name: 4-amino-N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-chloro-2-methoxybenzamide Traditional Name: 4-amino-5-chloro-2-methoxy-N-(4-piperonylpiperazino)benzamide Formula: C20H23ClN4O4 MolecularWeight: 418.87402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl)N

InChI

InChI=1S/C20H23ClN4O4/c1-27-18-10-16(22)15(21)9-14(18)20(26)23-25-6-4-24(5-7-25)11-13-2-3-17-19(8-13)29-12-28-17/h2-3,8-10H,4-7,11-12,22H2,1H3,(H,23,26)