2-[8-azanyl-2-oxidanyl-5,8-bis(oxidanylidene)-3-(pyridin-3-ylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butyl-naphthalene-1-carboxamide

Systemtic Name: 2-[8-azanyl-2-oxidanyl-5,8-bis(oxidanylidene)-3-(pyridin-3-ylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butyl-naphthalene-1-carboxamide Openeye Name: 2-[8-amino-2-hydroxy-5,8-dioxo-3-(3-pyridylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butyl-naphthalene-1-carboxamide CAS Name: 2-[8-amino-2-hydroxy-5,8-dioxo-3-(3-pyridinylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butyl-1-naphthalenecarboxamide IUPAC Name: 2-[8-amino-2-hydroxy-5,8-dioxo-3-(pyridin-3-ylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butylnaphthalene-1-carboxamide Traditional Name: 2-[8-amino-2-hydroxy-5,8-diketo-3-(3-pyridylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butyl-1-naphthamide Formula: C38H42N4O4 MolecularWeight: 618.76448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CC(C(CC3=CN=CC=C3)CC(=O)C(CC(=O)N)N4C=CCC5=CC=CC=C54)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CC(C(CC3=CN=CC=C3)CC(=O)C(CC(=O)N)N4C=CCC5=CC=CC=C54)O

InChI

InChI=1S/C38H42N4O4/c1-38(2,3)41-37(46)36-28(17-16-26-11-4-6-14-30(26)36)21-33(43)29(20-25-10-8-18-40-24-25)22-34(44)32(23-35(39)45)42-19-9-13-27-12-5-7-15-31(27)42/h4-12,14-19,24,29,32-33,43H,13,20-23H2,1-3H3,(H2,39,45)(H,41,46)