3-ethyl-4-[[4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one

Systemtic Name: 3-ethyl-4-[[4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one Openeye Name: 3-ethyl-4-[[4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one CAS Name: 3-ethyl-4-[[4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-piperazinone IUPAC Name: 3-ethyl-4-[[4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one Traditional Name: 3-ethyl-4-[[4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one Formula: C21H29N5O2 MolecularWeight: 383.48726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=NC=C(N4)C

Isomeric SMILES

CCC1C(=O)NCCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=NC=C(N4)C

InChI

InChI=1S/C21H29N5O2/c1-3-18-21(27)22-6-7-26(18)12-16-4-5-19-17(10-16)13-25(8-9-28-19)14-20-23-11-15(2)24-20/h4-5,10-11,18H,3,6-9,12-14H2,1-2H3,(H,22,27)(H,23,24)