tert-butyl 4-[6-[2-(cyclohexylamino)pyridin-4-yl]-3-methoxycarbonyl-pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[2-(cyclohexylamino)pyridin-4-yl]-3-methoxycarbonyl-pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-[2-(cyclohexylamino)-4-pyridyl]-3-methoxycarbonyl-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-3-methoxycarbonyl-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[2-(cyclohexylamino)pyridin-4-yl]-3-methoxycarbonylpyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-carbomethoxy-6-[2-(cyclohexylamino)-4-pyridyl]-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H37N5O4 MolecularWeight: 495.61378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=N2)C3=CC(=NC=C3)NC4CCCCC4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=N2)C3=CC(=NC=C3)NC4CCCCC4)C(=O)OC

InChI

InChI=1S/C27H37N5O4/c1-27(2,3)36-26(34)32-16-14-31(15-17-32)24-21(25(33)35-4)10-11-22(30-24)19-12-13-28-23(18-19)29-20-8-6-5-7-9-20/h10-13,18,20H,5-9,14-17H2,1-4H3,(H,28,29)