[1-(phenylmethyl)imidazol-2-yl]methyl 4-[(2-phenylazanylpyridin-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: [1-(phenylmethyl)imidazol-2-yl]methyl 4-[(2-phenylazanylpyridin-3-yl)methyl]piperazine-1-carboxylate Openeye Name: (1-benzylimidazol-2-yl)methyl 4-[(2-anilino-3-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-anilino-3-pyridinyl)methyl]-1-piperazinecarboxylic acid [1-(phenylmethyl)-2-imidazolyl]methyl ester IUPAC Name: (1-benzylimidazol-2-yl)methyl 4-[(2-anilinopyridin-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2-anilino-3-pyridyl)methyl]piperazine-1-carboxylic acid (1-benzylimidazol-2-yl)methyl ester Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(N=CC=C2)NC3=CC=CC=C3)C(=O)OCC4=NC=CN4CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=C(N=CC=C2)NC3=CC=CC=C3)C(=O)OCC4=NC=CN4CC5=CC=CC=C5

InChI

InChI=1S/C28H30N6O2/c35-28(36-22-26-29-14-15-34(26)20-23-8-3-1-4-9-23)33-18-16-32(17-19-33)21-24-10-7-13-30-27(24)31-25-11-5-2-6-12-25/h1-15H,16-22H2,(H,30,31)