N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[2-(4-methoxyphenyl)ethyl]-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide Traditional Name: 4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]-N-piperonyl-piperazine-2-carboxamide Formula: C30H33N7O4 MolecularWeight: 555.62752

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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)CCC6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)CCC6=CC=C(C=C6)OC

InChI

InChI=1S/C30H33N7O4/c1-21-15-28(34-30(33-21)37-12-10-31-19-37)36-14-13-35(11-9-22-3-6-24(39-2)7-4-22)25(18-36)29(38)32-17-23-5-8-26-27(16-23)41-20-40-26/h3-8,10,12,15-16,19,25H,9,11,13-14,17-18,20H2,1-2H3,(H,32,38)