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

Systemtic Name: (phenylmethyl) N-[(3R)-2-oxidanylidene-5-pyridin-4-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[(3R)-2-oxo-5-(4-pyridyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[(3R)-2-oxo-5-pyridin-4-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3R)-2-oxo-5-pyridin-4-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[(3R)-2-keto-5-(4-pyridyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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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=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@H]2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=NC=C4

InChI

InChI=1S/C22H18N4O3/c27-21-20(26-22(28)29-14-15-6-2-1-3-7-15)25-19(16-10-12-23-13-11-16)17-8-4-5-9-18(17)24-21/h1-13,20H,14H2,(H,24,27)(H,26,28)/t20-/m0/s1