N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-2-carboxamide

Systemtic Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-2-carboxamide Openeye Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-2-carboxamide CAS Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazinecarboxamide IUPAC Name: N,1-bis(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-2-carboxamide Traditional Name: 4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N,1-dipiperonyl-piperazine-2-carboxamide Formula: C29H29N7O5 MolecularWeight: 555.58446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N7O5/c1-19-10-27(33-29(32-19)36-7-6-30-16-36)35-9-8-34(14-21-3-5-24-26(12-21)41-18-39-24)22(15-35)28(37)31-13-20-2-4-23-25(11-20)40-17-38-23/h2-7,10-12,16,22H,8-9,13-15,17-18H2,1H3,(H,31,37)