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

Systemtic Name: (phenylmethyl) N-(2-oxidanylidene-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate hydrate Openeye Name: benzyl N-[2-oxo-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate hydrate CAS Name: N-[2-oxo-5-(2-pyridinyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester hydrate IUPAC Name: benzyl N-(2-oxo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate hydrate Traditional Name: N-[2-keto-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester hydrate Formula: C22H20N4O4 MolecularWeight: 404.4186

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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=N4.O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=N4.O

InChI

InChI=1S/C22H18N4O3.H2O/c27-21-20(26-22(28)29-14-15-8-2-1-3-9-15)25-19(18-12-6-7-13-23-18)16-10-4-5-11-17(16)24-21;/h1-13,20H,14H2,(H,24,27)(H,26,28);1H2