N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-methyl-amino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-methyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-methyl-amino]butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-methylamino]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-methylamino]butanamide Traditional Name: 4-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-methyl-amino]-N-piperonyl-butyramide Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N(C)CCCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N(C)CCCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N6O3/c1-15-10-19(25-21(24-15)27-9-7-22-13-27)26(2)8-3-4-20(28)23-12-16-5-6-17-18(11-16)30-14-29-17/h5-7,9-11,13H,3-4,8,12,14H2,1-2H3,(H,23,28)