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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-chloranyl-7-methyl-quinoline Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-chloro-7-methyl-quinoline CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-2-chloro-7-methylquinoline IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-chloro-7-methylquinoline Traditional Name: 2-chloro-7-methyl-3-[(4-piperonylpiperazino)methyl]quinoline Formula: C23H24ClN3O2 MolecularWeight: 409.90856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C23H24ClN3O2/c1-16-2-4-18-12-19(23(24)25-20(18)10-16)14-27-8-6-26(7-9-27)13-17-3-5-21-22(11-17)29-15-28-21/h2-5,10-12H,6-9,13-15H2,1H3