3-(3-methylpyrazol-1-yl)-1-[7-(morpholin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

Systemtic Name: 3-(3-methylpyrazol-1-yl)-1-[7-(morpholin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Openeye Name: 3-(3-methylpyrazol-1-yl)-1-[7-(morpholinomethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 3-(3-methyl-1-pyrazolyl)-1-[7-(4-morpholinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 3-(3-methylpyrazol-1-yl)-1-[7-(morpholin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 3-(3-methylpyrazol-1-yl)-1-[7-(morpholinomethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C21H28N4O3 MolecularWeight: 384.47202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCOCC4

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCOCC4

InChI

InChI=1S/C21H28N4O3/c1-17-4-6-25(22-17)7-5-21(26)24-10-13-28-20-3-2-18(14-19(20)16-24)15-23-8-11-27-12-9-23/h2-4,6,14H,5,7-13,15-16H2,1H3