(phenylmethyl) N-[1-(3-cyclohexyl-2-oxidanylidene-propyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(3-cyclohexyl-2-oxidanylidene-propyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(3-cyclohexyl-2-oxo-propyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(3-cyclohexyl-2-oxopropyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(3-cyclohexyl-2-oxopropyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(3-cyclohexyl-2-keto-propyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C32H33N3O4 MolecularWeight: 523.62212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CC(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H33N3O4/c36-26(20-23-12-4-1-5-13-23)21-35-28-19-11-10-18-27(28)29(25-16-8-3-9-17-25)33-30(31(35)37)34-32(38)39-22-24-14-6-2-7-15-24/h2-3,6-11,14-19,23,30H,1,4-5,12-13,20-22H2,(H,34,38)