(phenylmethyl) N-[(3R)-5-cycloheptyl-1-(2-morpholin-4-ylethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3R)-5-cycloheptyl-1-(2-morpholin-4-ylethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[(3R)-5-cycloheptyl-1-(2-morpholinoethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[(3R)-5-cycloheptyl-1-[2-(4-morpholinyl)ethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3R)-5-cycloheptyl-1-(2-morpholin-4-ylethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[(3R)-5-cycloheptyl-2-keto-1-(2-morpholinoethyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C30H38N4O4 MolecularWeight: 518.64712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CCN4CCOCC4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)C2=N[C@H](C(=O)N(C3=CC=CC=C32)CCN4CCOCC4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H38N4O4/c35-29-28(32-30(36)38-22-23-10-4-3-5-11-23)31-27(24-12-6-1-2-7-13-24)25-14-8-9-15-26(25)34(29)17-16-33-18-20-37-21-19-33/h3-5,8-11,14-15,24,28H,1-2,6-7,12-13,16-22H2,(H,32,36)/t28-/m0/s1