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

Systemtic Name: (phenylmethyl) N-(5-but-3-enyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate Openeye Name: benzyl N-(5-but-3-enyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-(5-but-3-enyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(5-but-3-enyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate Traditional Name: N-(5-but-3-enyl-2-keto-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamic acid benzyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=C2C=CC=CC2=NC(=O)C(N1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C=CCCC1=C2C=CC=CC2=NC(=O)C(N1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-2-3-12-17-16-11-7-8-13-18(16)23-20(25)19(22-17)24-21(26)27-14-15-9-5-4-6-10-15/h2,4-11,13,19,22H,1,3,12,14H2,(H,24,26)