4-[4-chloranyl-3-[2-[methyl(propan-2-ylcarbamoyl)amino]ethanoylamino]phenyl]-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[4-chloranyl-3-[2-[methyl(propan-2-ylcarbamoyl)amino]ethanoylamino]phenyl]-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[4-chloro-3-[[2-[isopropylcarbamoyl(methyl)amino]acetyl]amino]phenyl]-N-isopropyl-piperazine-1-carboxamide CAS Name: 4-[4-chloro-3-[[2-[methyl-[oxo-(propan-2-ylamino)methyl]amino]-1-oxoethyl]amino]phenyl]-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[4-chloro-3-[[2-[methyl(propan-2-ylcarbamoyl)amino]acetyl]amino]phenyl]-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[4-chloro-3-[[2-[isopropylcarbamoyl(methyl)amino]acetyl]amino]phenyl]-N-isopropyl-piperazine-1-carboxamide Formula: C21H33ClN6O3 MolecularWeight: 452.97812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(CC1)C2=CC(=C(C=C2)Cl)NC(=O)CN(C)C(=O)NC(C)C

Isomeric SMILES

CC(C)NC(=O)N1CCN(CC1)C2=CC(=C(C=C2)Cl)NC(=O)CN(C)C(=O)NC(C)C

InChI

InChI=1S/C21H33ClN6O3/c1-14(2)23-20(30)26(5)13-19(29)25-18-12-16(6-7-17(18)22)27-8-10-28(11-9-27)21(31)24-15(3)4/h6-7,12,14-15H,8-11,13H2,1-5H3,(H,23,30)(H,24,31)(H,25,29)