N-[(3,4-dimethoxyphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: 4-(6-pyrrolidinopyrimidin-4-yl)-N-veratryl-piperazine-1-carboxamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OC

InChI

InChI=1S/C22H30N6O3/c1-30-18-6-5-17(13-19(18)31-2)15-23-22(29)28-11-9-27(10-12-28)21-14-20(24-16-25-21)26-7-3-4-8-26/h5-6,13-14,16H,3-4,7-12,15H2,1-2H3,(H,23,29)