N-[3-[cyanomethylcarbamoyl(3-methylbutyl)carbamoyl]phenyl]-4-methyl-piperazine-1-carboxamide

Systemtic Name: N-[3-[cyanomethylcarbamoyl(3-methylbutyl)carbamoyl]phenyl]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[3-[cyanomethylcarbamoyl(isopentyl)carbamoyl]phenyl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[3-[[[(cyanomethylamino)-oxomethyl]-(3-methylbutyl)amino]-oxomethyl]phenyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: N-[3-[cyanomethylcarbamoyl(3-methylbutyl)carbamoyl]phenyl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[3-[cyanomethylcarbamoyl(isoamyl)carbamoyl]phenyl]-4-methyl-piperazine-1-carboxamide Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C)C(=O)NCC#N

Isomeric SMILES

CC(C)CCN(C(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C)C(=O)NCC#N

InChI

InChI=1S/C21H30N6O3/c1-16(2)7-10-27(20(29)23-9-8-22)19(28)17-5-4-6-18(15-17)24-21(30)26-13-11-25(3)12-14-26/h4-6,15-16H,7,9-14H2,1-3H3,(H,23,29)(H,24,30)