1-[(3S)-5-cycloheptyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea

Systemtic Name: 1-[(3S)-5-cycloheptyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea Openeye Name: 1-[(3S)-5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(2-morpholinoethoxy)phenyl]urea CAS Name: 1-[(3S)-5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-[2-(4-morpholinyl)ethoxy]phenyl]urea IUPAC Name: 1-[(3S)-5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea Traditional Name: 1-[(3S)-5-cycloheptyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-[3-(2-morpholinoethoxy)phenyl]urea Formula: C30H39N5O4 MolecularWeight: 533.66176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)OCCN4CCOCC4)C5CCCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)NC3=CC(=CC=C3)OCCN4CCOCC4)C5CCCCCC5

InChI

InChI=1S/C30H39N5O4/c1-34-26-14-7-6-13-25(26)27(22-9-4-2-3-5-10-22)32-28(29(34)36)33-30(37)31-23-11-8-12-24(21-23)39-20-17-35-15-18-38-19-16-35/h6-8,11-14,21-22,28H,2-5,9-10,15-20H2,1H3,(H2,31,33,37)/t28-/m1/s1