N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)piperazine-2-carboxamide

Systemtic Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)piperazine-2-carboxamide Openeye Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)piperazine-2-carboxamide CAS Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-4-methyl-1H-pyrimidin-4-yl]-2-piperazinecarboxamide IUPAC Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)piperazine-2-carboxamide Traditional Name: 4-(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)-N,1-dipiperonyl-piperazine-2-carboxamide Formula: C29H31N7O5 MolecularWeight: 557.60034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CNC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

CC1(C=CNC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C29H31N7O5/c1-29(6-7-31-28(33-29)35-9-8-30-17-35)36-11-10-34(15-21-3-5-24-26(13-21)41-19-39-24)22(16-36)27(37)32-14-20-2-4-23-25(12-20)40-18-38-23/h2-9,12-13,17,22H,10-11,14-16,18-19H2,1H3,(H,31,33)(H,32,37)