N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(phenylmethyl)piperazine-1-carboxamide Openeye Name: 4-benzyl-N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]piperazine-1-carboxamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-benzyl-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]piperazine-1-carboxamide Traditional Name: 4-benzyl-N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]piperazine-1-carboxamide Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H29N5O2/c1-16(2)14-18(19(26)22-9-8-21)23-20(27)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-7,16,18H,9-15H2,1-2H3,(H,22,26)(H,23,27)