N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)azepane-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: 1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-piperonyl-azepane-2-carboxamide Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H30N6O3/c1-17(2)19-13-23(29-25(28-19)30-11-9-26-15-30)31-10-5-3-4-6-20(31)24(32)27-14-18-7-8-21-22(12-18)34-16-33-21/h7-9,11-13,15,17,20H,3-6,10,14,16H2,1-2H3,(H,27,32)