tert-butyl 4-[[4-chloranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-chloranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-chloro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-chloro-3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-chloro-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-chloro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H32ClN5O3 MolecularWeight: 473.99558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NCC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NCC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C24H32ClN5O3/c1-17-5-7-20(15-26-17)28-22(31)27-14-19-13-18(6-8-21(19)25)16-29-9-11-30(12-10-29)23(32)33-24(2,3)4/h5-8,13,15H,9-12,14,16H2,1-4H3,(H2,27,28,31)