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

Systemtic Name: (phenylmethyl) N-[(3S)-5-cycloheptyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[(3S)-5-cycloheptyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[(3S)-5-cycloheptyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S)-5-cycloheptyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[(3S)-5-cycloheptyl-2-keto-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=C3C=CC=CC3=NC(=O)C(N2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)C2=C3C=CC=CC3=NC(=O)[C@@H](N2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c28-23-22(27-24(29)30-16-17-10-4-3-5-11-17)26-21(18-12-6-1-2-7-13-18)19-14-8-9-15-20(19)25-23/h3-5,8-11,14-15,18,22,26H,1-2,6-7,12-13,16H2,(H,27,29)/t22-/m0/s1