(phenylmethyl) N-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate hydrate

Systemtic Name: (phenylmethyl) N-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate hydrate Openeye Name: benzyl N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate hydrate CAS Name: N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamic acid (phenylmethyl) ester hydrate IUPAC Name: benzyl N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate hydrate Traditional Name: N-(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamic acid benzyl ester hydrate Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4.O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4.O

InChI

InChI=1S/C23H19N3O3.H2O/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;/h1-14,21H,15H2,(H,24,27)(H,26,28);1H2