N-tert-butyl-1-[5-(methylamino)-2-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[5-(methylamino)-2-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Openeye Name: 1-[4-benzyl-2-hydroxy-5-(methylamino)-5-oxo-pentyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide CAS Name: N-tert-butyl-1-[2-hydroxy-5-(methylamino)-5-oxo-4-(phenylmethyl)pentyl]-4-(3-pyridinylmethyl)-2-piperazinecarboxamide IUPAC Name: 1-[4-benzyl-2-hydroxy-5-(methylamino)-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Traditional Name: 1-[4-benzyl-2-hydroxy-5-keto-5-(methylamino)pentyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide Formula: C28H41N5O3 MolecularWeight: 495.65684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC)O)CC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC)O)CC3=CN=CC=C3

InChI

InChI=1S/C28H41N5O3/c1-28(2,3)31-27(36)25-20-32(18-22-11-8-12-30-17-22)13-14-33(25)19-24(34)16-23(26(35)29-4)15-21-9-6-5-7-10-21/h5-12,17,23-25,34H,13-16,18-20H2,1-4H3,(H,29,35)(H,31,36)