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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide Traditional Name: 4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-p-anisyl-N-piperonyl-piperazine-2-carboxamide Formula: C29H31N7O4 MolecularWeight: 541.60094

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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=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)CC6=CC=C(C=C6)OC

InChI

InChI=1S/C29H31N7O4/c1-20-13-27(33-29(32-20)36-10-9-30-18-36)35-12-11-34(16-21-3-6-23(38-2)7-4-21)24(17-35)28(37)31-15-22-5-8-25-26(14-22)40-19-39-25/h3-10,13-14,18,24H,11-12,15-17,19H2,1-2H3,(H,31,37)