1-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]-1,3-dimethyl-urea

Systemtic Name: 1-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]-1,3-dimethyl-urea Openeye Name: 1-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]-1,3-dimethyl-urea CAS Name: 1-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]-1,3-dimethylurea IUPAC Name: 1-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]-1,3-dimethylurea Traditional Name: 1-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]-1,3-dimethyl-urea Formula: C16H21N5O2 MolecularWeight: 315.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N(C)C1=CC2=C(C=C1)OCCCN2CC3=CN=CN3

Isomeric SMILES

CNC(=O)N(C)C1=CC2=C(C=C1)OCCCN2CC3=CN=CN3

InChI

InChI=1S/C16H21N5O2/c1-17-16(22)20(2)13-4-5-15-14(8-13)21(6-3-7-23-15)10-12-9-18-11-19-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,22)(H,18,19)