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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-ethylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-ethylphenyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(4-ethylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-ethylphenyl)quinolin-4-yl]methanone Traditional Name: [2-(4-ethylphenyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C30H29N3O3 MolecularWeight: 479.56956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H29N3O3/c1-2-21-7-10-23(11-8-21)27-18-25(24-5-3-4-6-26(24)31-27)30(34)33-15-13-32(14-16-33)19-22-9-12-28-29(17-22)36-20-35-28/h3-12,17-18H,2,13-16,19-20H2,1H3