[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-6-methyl-quinolin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-6-methyl-quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-6-methyl-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]methanone Traditional Name: [2-(4-methoxyphenyl)-6-methyl-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C30H29N3O4 MolecularWeight: 495.56896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)OC

InChI

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