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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methyl-quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methyl-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(4-methoxyphenyl)-3-methyl-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone Traditional Name: [2-(4-methoxyphenyl)-3-methyl-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C30H29N3O4 MolecularWeight: 495.56896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H29N3O4/c1-20-28(24-5-3-4-6-25(24)31-29(20)22-8-10-23(35-2)11-9-22)30(34)33-15-13-32(14-16-33)18-21-7-12-26-27(17-21)37-19-36-26/h3-12,17H,13-16,18-19H2,1-2H3