N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butanamide Traditional Name: 4-keto-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-piperonyl-butyramide Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)CCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)CCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26N2O4/c30-25(28-17-19-10-11-23-24(16-19)33-18-32-23)12-13-26(31)29-15-14-20-6-4-5-9-22(20)27(29)21-7-2-1-3-8-21/h1-11,16,27H,12-15,17-18H2,(H,28,30)