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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-4-(4-pyridylmethyl)piperazine-1-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-(pyridin-4-ylmethyl)-1-piperazinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-4-(4-pyridylmethyl)piperazine-1-carboxamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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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=NC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H29N5O2/c1-17(2)15-21(28)24-19-3-5-20(6-4-19)25-22(29)27-13-11-26(12-14-27)16-18-7-9-23-10-8-18/h3-10,17H,11-16H2,1-2H3,(H,24,28)(H,25,29)