N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)butanediamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)butanediamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[4-methyl-2-(1-piperidyl)-6-quinolyl]butanediamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[4-methyl-2-(1-piperidinyl)-6-quinolinyl]butanediamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide Traditional Name: N'-(4-methyl-2-piperidino-6-quinolyl)-N-piperonyl-succinamide Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NCC3=CC4=C(C=C3)OCO4)N5CCCCC5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)NCC3=CC4=C(C=C3)OCO4)N5CCCCC5

InChI

InChI=1S/C27H30N4O4/c1-18-13-25(31-11-3-2-4-12-31)30-22-7-6-20(15-21(18)22)29-27(33)10-9-26(32)28-16-19-5-8-23-24(14-19)35-17-34-23/h5-8,13-15H,2-4,9-12,16-17H2,1H3,(H,28,32)(H,29,33)