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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-4-quinolyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-methyl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone Traditional Name: (2-methyl-4-quinolyl)-(4-piperonylpiperazino)methanone Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O3/c1-16-12-19(18-4-2-3-5-20(18)24-16)23(27)26-10-8-25(9-11-26)14-17-6-7-21-22(13-17)29-15-28-21/h2-7,12-13H,8-11,14-15H2,1H3