tert-butyl 4-[naphthalen-2-ylcarbonyl-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[naphthalen-2-ylcarbonyl-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[naphthalene-2-carbonyl-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-naphthalenyl(oxo)methyl]-[2-[[(1R)-1-phenylethyl]amino]-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[naphthalene-2-carbonyl-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[2-naphthoyl-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C33H37N5O3 MolecularWeight: 551.67858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N(C3CCN(CC3)C(=O)OC(C)(C)C)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=NC=CC(=N2)N(C3CCN(CC3)C(=O)OC(C)(C)C)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H37N5O3/c1-23(24-10-6-5-7-11-24)35-31-34-19-16-29(36-31)38(28-17-20-37(21-18-28)32(40)41-33(2,3)4)30(39)27-15-14-25-12-8-9-13-26(25)22-27/h5-16,19,22-23,28H,17-18,20-21H2,1-4H3,(H,34,35,36)/t23-/m1/s1