N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-4-(2-methoxyethanoyl)piperazin-2-yl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-4-(2-methoxyethanoyl)piperazin-2-yl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-4-(2-methoxyacetyl)piperazin-2-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(1-imidazolylmethyl)-4-pyrimidinyl]-4-(2-methoxy-1-oxoethyl)-2-piperazinyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-4-(2-methoxyacetyl)piperazin-2-yl]acetamide Traditional Name: N-homoveratryl-2-[1-[2-(imidazol-1-ylmethyl)pyrimidin-4-yl]-4-(2-methoxyacetyl)piperazin-2-yl]acetamide Formula: C27H35N7O5 MolecularWeight: 537.6107

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCN(C(C1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=NC(=NC=C3)CN4C=CN=C4

Isomeric SMILES

COCC(=O)N1CCN(C(C1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=NC(=NC=C3)CN4C=CN=C4

InChI

InChI=1S/C27H35N7O5/c1-37-18-27(36)33-12-13-34(25-7-9-29-24(31-25)17-32-11-10-28-19-32)21(16-33)15-26(35)30-8-6-20-4-5-22(38-2)23(14-20)39-3/h4-5,7,9-11,14,19,21H,6,8,12-13,15-18H2,1-3H3,(H,30,35)