4-cyclobutyl-N-[[4-[[1-[1-(4,6-dimethylpyrimidin-5-yl)carbonyl-4-methyl-piperidin-4-yl]piperidin-4-yl]-(phenylmethyl)amino]phenyl]methyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-cyclobutyl-N-[[4-[[1-[1-(4,6-dimethylpyrimidin-5-yl)carbonyl-4-methyl-piperidin-4-yl]piperidin-4-yl]-(phenylmethyl)amino]phenyl]methyl]-4-oxidanylidene-butanamide Openeye Name: N-[[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methyl-4-piperidyl]-4-piperidyl]amino]phenyl]methyl]-4-cyclobutyl-4-oxo-butanamide CAS Name: 4-cyclobutyl-N-[[4-[[1-[1-[(4,6-dimethyl-5-pyrimidinyl)-oxomethyl]-4-methyl-4-piperidinyl]-4-piperidinyl]-(phenylmethyl)amino]phenyl]methyl]-4-oxobutanamide IUPAC Name: N-[[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]methyl]-4-cyclobutyl-4-oxobutanamide Traditional Name: N-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methyl-4-piperidyl]-4-piperidyl]amino]benzyl]-4-cyclobutyl-4-keto-butyramide Formula: C40H52N6O3 MolecularWeight: 664.87928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=N1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(CC4=CC=CC=C4)C5=CC=C(C=C5)CNC(=O)CCC(=O)C6CCC6

Isomeric SMILES

CC1=C(C(=NC=N1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(CC4=CC=CC=C4)C5=CC=C(C=C5)CNC(=O)CCC(=O)C6CCC6

InChI

InChI=1S/C40H52N6O3/c1-29-38(30(2)43-28-42-29)39(49)44-24-20-40(3,21-25-44)45-22-18-35(19-23-45)46(27-32-8-5-4-6-9-32)34-14-12-31(13-15-34)26-41-37(48)17-16-36(47)33-10-7-11-33/h4-6,8-9,12-15,28,33,35H,7,10-11,16-27H2,1-3H3,(H,41,48)