(phenylmethyl) N-[(3S)-5-cyclohexyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3S)-5-cyclohexyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[(3S)-5-cyclohexyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[(3S)-5-cyclohexyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S)-5-cyclohexyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[(3S)-5-cyclohexyl-2-keto-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C=CC=CC3=NC(=O)C(N2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=C3C=CC=CC3=NC(=O)[C@@H](N2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c27-22-21(26-23(28)29-15-16-9-3-1-4-10-16)25-20(17-11-5-2-6-12-17)18-13-7-8-14-19(18)24-22/h1,3-4,7-10,13-14,17,21,25H,2,5-6,11-12,15H2,(H,26,28)/t21-/m0/s1