methyl 4-[2-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[[5-(4-methoxyphenyl)-2-pyrimidinyl]amino]phenyl]ethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylic acid methyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2)NC3=CC=C(C=C3)CCN4CCN(CC4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)NC3=CC=C(C=C3)CCN4CCN(CC4)C(=O)OC

InChI

InChI=1S/C25H29N5O3/c1-32-23-9-5-20(6-10-23)21-17-26-24(27-18-21)28-22-7-3-19(4-8-22)11-12-29-13-15-30(16-14-29)25(31)33-2/h3-10,17-18H,11-16H2,1-2H3,(H,26,27,28)