(phenylmethyl) N-(1-methyl-2-oxidanylidene-5-propyl-3H-1,4-benzodiazepin-3-yl)carbamate

Systemtic Name: (phenylmethyl) N-(1-methyl-2-oxidanylidene-5-propyl-3H-1,4-benzodiazepin-3-yl)carbamate Openeye Name: benzyl N-(1-methyl-2-oxo-5-propyl-3H-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-(1-methyl-2-oxo-5-propyl-3H-1,4-benzodiazepin-3-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(1-methyl-2-oxo-5-propyl-3H-1,4-benzodiazepin-3-yl)carbamate Traditional Name: N-(2-keto-1-methyl-5-propyl-3H-1,4-benzodiazepin-3-yl)carbamic acid benzyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(C(=O)N(C2=CC=CC=C21)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(C(=O)N(C2=CC=CC=C21)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3/c1-3-9-17-16-12-7-8-13-18(16)24(2)20(25)19(22-17)23-21(26)27-14-15-10-5-4-6-11-15/h4-8,10-13,19H,3,9,14H2,1-2H3,(H,23,26)