1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazol-1-yl-propan-1-one

Systemtic Name: 1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazol-1-yl-propan-1-one Openeye Name: 1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazol-1-yl-propan-1-one CAS Name: 1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(1-pyrazolyl)-1-propanone IUPAC Name: 1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazol-1-ylpropan-1-one Traditional Name: 1-[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazol-1-yl-propan-1-one Formula: C23H31N3O3 MolecularWeight: 397.51054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C1CCCCC1)C2=CC3=C(C=C2)OCCN(C3)C(=O)CCN4C=CC=N4

Isomeric SMILES

COC(C1CCCCC1)C2=CC3=C(C=C2)OCCN(C3)C(=O)CCN4C=CC=N4

InChI

InChI=1S/C23H31N3O3/c1-28-23(18-6-3-2-4-7-18)19-8-9-21-20(16-19)17-25(14-15-29-21)22(27)10-13-26-12-5-11-24-26/h5,8-9,11-12,16,18,23H,2-4,6-7,10,13-15,17H2,1H3