N-[3-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[3-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[3-[[cyano(methyl)carbamoyl]-isopentyl-carbamoyl]phenyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[3-[[[[cyano(methyl)amino]-oxomethyl]-(3-methylbutyl)amino]-oxomethyl]phenyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[3-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[3-[[cyano(methyl)carbamoyl]-isoamyl-carbamoyl]phenyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C24H30N8O3 MolecularWeight: 478.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)N(C)C#N

Isomeric SMILES

CC(C)CCN(C(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)N(C)C#N

InChI

InChI=1S/C24H30N8O3/c1-18(2)8-11-32(24(35)29(3)17-25)21(33)19-6-4-7-20(16-19)28-23(34)31-14-12-30(13-15-31)22-26-9-5-10-27-22/h4-7,9-10,16,18H,8,11-15H2,1-3H3,(H,28,34)