(E)-1-(2-methylpyrimidin-5-yl)-7-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)hept-1-en-3-ol

Systemtic Name: (E)-1-(2-methylpyrimidin-5-yl)-7-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)hept-1-en-3-ol Openeye Name: (E)-1-(2-methylpyrimidin-5-yl)-7-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)hept-1-en-3-ol CAS Name: (E)-1-(2-methyl-5-pyrimidinyl)-7-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)-1-hepten-3-ol IUPAC Name: (E)-1-(2-methylpyrimidin-5-yl)-7-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)hept-1-en-3-ol Traditional Name: (E)-1-(2-methylpyrimidin-5-yl)-7-(6,7,8,9-tetrahydro-5H-pyrid[2,3-b]azepin-2-yl)hept-1-en-3-ol Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C=CC(CCCCC2=NC3=C(CCCCN3)C=C2)O

Isomeric SMILES

CC1=NC=C(C=N1)/C=C/C(CCCCC2=NC3=C(CCCCN3)C=C2)O

InChI

InChI=1S/C21H28N4O/c1-16-23-14-17(15-24-16)9-12-20(26)8-3-2-7-19-11-10-18-6-4-5-13-22-21(18)25-19/h9-12,14-15,20,26H,2-8,13H2,1H3,(H,22,25)/b12-9+