(phenylmethyl) N-[1,9-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1,9-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1,9-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1,9-dimethyl-5-[(4-methyl-1-piperazinyl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1,9-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[2-keto-1,9-dimethyl-5-[(4-methylpiperazino)methyl]-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2CN3CCN(CC3)C)NC(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2CN3CCN(CC3)C)NC(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C25H31N5O3/c1-18-8-7-11-20-21(16-30-14-12-28(2)13-15-30)26-23(24(31)29(3)22(18)20)27-25(32)33-17-19-9-5-4-6-10-19/h4-11,23H,12-17H2,1-3H3,(H,27,32)