N-(2-chloroethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide

Systemtic Name: N-(2-chloroethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide Openeye Name: N-(2-chloroethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide CAS Name: N-(2-chloroethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[2-(4-methoxyphenyl)ethyl]-2-piperazinecarboxamide IUPAC Name: N-(2-chloroethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide Traditional Name: N-(2-chloroethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide Formula: C23H28ClN7O2 MolecularWeight: 469.96712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CCN(CC2C(=O)NCCCl)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)CCN2CCN(CC2C(=O)NCCCl)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C23H28ClN7O2/c1-33-19-4-2-18(3-5-19)7-12-29-14-15-30(16-20(29)22(32)26-10-8-24)21-6-9-27-23(28-21)31-13-11-25-17-31/h2-6,9,11,13,17,20H,7-8,10,12,14-16H2,1H3,(H,26,32)