N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]pentanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]pentanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]pentanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]pentanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]pentanamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-piperonyl-valeramide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCCC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H23N3O4/c1-2-3-8-21(26)25(12-15-9-10-18-19(11-15)29-14-28-18)13-20-23-17-7-5-4-6-16(17)22(27)24-20/h4-7,9-11H,2-3,8,12-14H2,1H3,(H,23,24,27)