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

Systemtic Name: N-[3-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1-carboxamide Openeye Name: N-[3-[[cyano(methyl)carbamoyl]-isopentyl-carbamoyl]phenyl]-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1-carboxamide CAS Name: N-[3-[[[[cyano(methyl)amino]-oxomethyl]-(3-methylbutyl)amino]-oxomethyl]phenyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinecarboxamide IUPAC Name: N-[3-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide Traditional Name: N-[3-[[cyano(methyl)carbamoyl]-isoamyl-carbamoyl]phenyl]-4-(2-keto-2-pyrrolidino-ethyl)piperazine-1-carboxamide Formula: C26H37N7O4 MolecularWeight: 511.61648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)CC(=O)N3CCCC3)C(=O)N(C)C#N

Isomeric SMILES

CC(C)CCN(C(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)CC(=O)N3CCCC3)C(=O)N(C)C#N

InChI

InChI=1S/C26H37N7O4/c1-20(2)9-12-33(26(37)29(3)19-27)24(35)21-7-6-8-22(17-21)28-25(36)32-15-13-30(14-16-32)18-23(34)31-10-4-5-11-31/h6-8,17,20H,4-5,9-16,18H2,1-3H3,(H,28,36)