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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-cyclopropyl-4-quinolyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-cyclopropyl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone Traditional Name: (2-cyclopropyl-4-quinolyl)-(4-piperonylpiperazino)methanone Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H25N3O3/c29-25(20-14-22(18-6-7-18)26-21-4-2-1-3-19(20)21)28-11-9-27(10-12-28)15-17-5-8-23-24(13-17)31-16-30-23/h1-5,8,13-14,18H,6-7,9-12,15-16H2