4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)-4-oxidanylidene-butanamide

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)-4-oxidanylidene-butanamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-methyl-2-(1-piperidyl)-6-quinolyl]-4-oxo-butanamide CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[4-methyl-2-(1-piperidinyl)-6-quinolinyl]-4-oxobutanamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxobutanamide Traditional Name: 4-keto-N-(4-methyl-2-piperidino-6-quinolyl)-4-(4-piperonylpiperazino)butyramide Formula: C31H37N5O4 MolecularWeight: 543.65658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N6CCCCC6

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N6CCCCC6

InChI

InChI=1S/C31H37N5O4/c1-22-17-29(35-11-3-2-4-12-35)33-26-7-6-24(19-25(22)26)32-30(37)9-10-31(38)36-15-13-34(14-16-36)20-23-5-8-27-28(18-23)40-21-39-27/h5-8,17-19H,2-4,9-16,20-21H2,1H3,(H,32,37)