2-[[2-[(3R)-3-azanylpiperidin-1-yl]-4-methyl-6-oxidanylidene-5-[(E)-2-phenylethenyl]pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-4-methyl-6-oxidanylidene-5-[(E)-2-phenylethenyl]pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-4-methyl-6-oxo-5-[(E)-styryl]pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-4-methyl-6-oxo-5-[(E)-2-phenylethenyl]-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-methyl-6-oxo-5-[(E)-2-phenylethenyl]pyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-6-keto-4-methyl-5-[(E)-styryl]pyrimidin-1-yl]methyl]benzonitrile Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)N2CCCC(C2)N)CC3=CC=CC=C3C#N)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)N2CCC[C@H](C2)N)CC3=CC=CC=C3C#N)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O/c1-19-24(14-13-20-8-3-2-4-9-20)25(32)31(17-22-11-6-5-10-21(22)16-27)26(29-19)30-15-7-12-23(28)18-30/h2-6,8-11,13-14,23H,7,12,15,17-18,28H2,1H3/b14-13+/t23-/m1/s1