tert-butyl N-[5-[2-(4-methylpiperazin-1-yl)ethanoyl]-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-[2-(4-methylpiperazin-1-yl)ethanoyl]-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-[2-(4-methylpiperazin-1-yl)acetyl]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[5-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[2-(4-methylpiperazin-1-yl)acetyl]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[2-keto-5-[2-(4-methylpiperazino)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)CN3CCN(CC3)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)CN3CCN(CC3)C

InChI

InChI=1S/C21H31N5O4/c1-21(2,3)30-20(29)23-16-13-26(17-8-6-5-7-15(17)22-19(16)28)18(27)14-25-11-9-24(4)10-12-25/h5-8,16H,9-14H2,1-4H3,(H,22,28)(H,23,29)