(phenylmethyl) N-[5-(dimethylaminomethyl)-9-methyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[5-(dimethylaminomethyl)-9-methyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[5-(dimethylaminomethyl)-9-methyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[5-(dimethylaminomethyl)-9-methyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-(dimethylaminomethyl)-9-methyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(dimethylaminomethyl)-2-keto-9-methyl-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(NC(C(=O)N=C12)NC(=O)OCC3=CC=CC=C3)CN(C)C

Isomeric SMILES

CC1=CC=CC2=C(NC(C(=O)N=C12)NC(=O)OCC3=CC=CC=C3)CN(C)C

InChI

InChI=1S/C21H24N4O3/c1-14-8-7-11-16-17(12-25(2)3)22-19(20(26)23-18(14)16)24-21(27)28-13-15-9-5-4-6-10-15/h4-11,19,22H,12-13H2,1-3H3,(H,24,27)