(4-imidazol-1-ylphenyl)-[(3S)-3-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]methanone

Systemtic Name: (4-imidazol-1-ylphenyl)-[(3S)-3-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: [(3S)-3-(5-benzyl-2-methyl-pyrimidin-4-yl)-1-piperidyl]-(4-imidazol-1-ylphenyl)methanone CAS Name: [4-(1-imidazolyl)phenyl]-[(3S)-3-[2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: [(3S)-3-(5-benzyl-2-methylpyrimidin-4-yl)piperidin-1-yl]-(4-imidazol-1-ylphenyl)methanone Traditional Name: [(3S)-3-(5-benzyl-2-methyl-pyrimidin-4-yl)piperidino]-(4-imidazol-1-ylphenyl)methanone Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)N4C=CN=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC=C(C(=N1)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)N4C=CN=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O/c1-20-29-17-24(16-21-6-3-2-4-7-21)26(30-20)23-8-5-14-31(18-23)27(33)22-9-11-25(12-10-22)32-15-13-28-19-32/h2-4,6-7,9-13,15,17,19,23H,5,8,14,16,18H2,1H3/t23-/m0/s1