4-(furan-2-ylmethyl)-N-[4-(3-methylbutanoylamino)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-[4-(3-methylbutanoylamino)phenyl]piperazine-1-carboxamide Openeye Name: 4-(2-furylmethyl)-N-[4-(3-methylbutanoylamino)phenyl]piperazine-1-carboxamide CAS Name: 4-(2-furanylmethyl)-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(furan-2-ylmethyl)-N-[4-(3-methylbutanoylamino)phenyl]piperazine-1-carboxamide Traditional Name: 4-(2-furfuryl)-N-[4-(isovalerylamino)phenyl]piperazine-1-carboxamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C21H28N4O3/c1-16(2)14-20(26)22-17-5-7-18(8-6-17)23-21(27)25-11-9-24(10-12-25)15-19-4-3-13-28-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,22,26)(H,23,27)