(phenylmethyl) N-[3-methyl-1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-methyl-1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[2-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]carbamoyl]propyl]carbamate CAS Name: N-[3-methyl-1-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-methyl-1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]-1-oxobutan-2-yl]carbamate Traditional Name: N-[2-methyl-1-[[6-(4-methylpiperazino)-3-pyridyl]carbamoyl]propyl]carbamic acid benzyl ester Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CN=C(C=C1)N2CCN(CC2)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC1=CN=C(C=C1)N2CCN(CC2)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O3/c1-17(2)21(26-23(30)31-16-18-7-5-4-6-8-18)22(29)25-19-9-10-20(24-15-19)28-13-11-27(3)12-14-28/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,25,29)(H,26,30)