tert-butyl 4-[[naphthalen-2-ylcarbonyl-[2-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[naphthalen-2-ylcarbonyl-[2-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[2-(isopropylamino)pyrimidin-4-yl]-(naphthalene-2-carbonyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[2-naphthalenyl(oxo)methyl]-[2-(propan-2-ylamino)-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[naphthalene-2-carbonyl-[2-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-(isopropylamino)pyrimidin-4-yl]-(2-naphthoyl)amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H37N5O3 MolecularWeight: 503.63578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=CC(=N1)N(CC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)NC1=NC=CC(=N1)N(CC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H37N5O3/c1-20(2)31-27-30-15-12-25(32-27)34(26(35)24-11-10-22-8-6-7-9-23(22)18-24)19-21-13-16-33(17-14-21)28(36)37-29(3,4)5/h6-12,15,18,20-21H,13-14,16-17,19H2,1-5H3,(H,30,31,32)