N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: 4-(4-keto-2-methyl-quinazolin-3-yl)-N-piperonyl-butyramide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4/c1-14-23-17-6-3-2-5-16(17)21(26)24(14)10-4-7-20(25)22-12-15-8-9-18-19(11-15)28-13-27-18/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3,(H,22,25)