N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-methyl-amino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-methyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-methyl-amino]butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(1-imidazolylmethyl)-4-pyrimidinyl]-methylamino]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-methylamino]butanamide Traditional Name: 4-[[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-methyl-amino]-N-piperonyl-butyramide Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NCC1=CC2=C(C=C1)OCO2)C3=NC(=NC=C3)CN4C=CN=C4

Isomeric SMILES

CN(CCCC(=O)NCC1=CC2=C(C=C1)OCO2)C3=NC(=NC=C3)CN4C=CN=C4

InChI

InChI=1S/C21H24N6O3/c1-26(20-6-7-23-19(25-20)13-27-10-8-22-14-27)9-2-3-21(28)24-12-16-4-5-17-18(11-16)30-15-29-17/h4-8,10-11,14H,2-3,9,12-13,15H2,1H3,(H,24,28)