3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[5-methyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[5-methyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[5-methyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CCOC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CCOC5=CC=CC=C5C4)C

InChI

InChI=1S/C23H21N5O2S/c1-15-12-24-23(26-21(15)20-8-5-11-31-20)28-16(2)18(13-25-28)22(29)27-9-10-30-19-7-4-3-6-17(19)14-27/h3-8,11-13H,9-10,14H2,1-2H3